6-Benzylaminopurine
- Iupac Name：N-benzyl-7H-purin-6-amine
- CAS No.: 1214-39-7
- Molecular Weight：225.24924
- Modify Date.: 2022-11-05 04:34
- Introduction: 6-Benzylaminopurine can be used as inhibitor of respiratory kinase in plants.
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1. Names and Identifiers
- 1.1 Name
- 6-Benzylaminopurine
- 1.2 Synonyms
6-(Benzylamino)-9H-purine 6-(Benzylamino)purine 6-BA 6-Benzyil AMinopurine 6-benzyl-6H-purin-6-aMine 6-benzyladenine 6-BenzylaMino Purine Tech 6-Benzylaminopurine,BA, N6-Benzyladenine 6-BENZYLAMINOPURINERESEARCH GRADE 9H-Purin-6-amine, N-(phenylmethyl)- benzyladenine benzylaminopurine cylex EINECS 205-480-7 MFCD00005572 N(6)-Benzyladenine N-(phenylmethyl)-1H-purin-6-amine N-(phenylmethyl)-1H-purine-6-amine N6-benzyl-9H-purin-6-amine N6-Benzyladenine N-Benzyl-3H-purin-6-amine N-benzyl-7H-purin-6-amine N-Benzyl-9H-purin-6-amine, N-(9H-Purin-6-yl)benzylamine N-Benzyladenine Promalin UNII-KXG6A989PS
- 1.3 CAS No.
- 1214-39-7
- 1.4 CID
- 62389
- 1.5 EINECS(EC#)
- 214-927-5
- 1.6 Molecular Formula
- C12H11N5 (isomer)
- 1.7 Inchi
- InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
- 1.8 InChkey
- NWBJYWHLCVSVIJ-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3
- 1.10 Isomers Smiles
- C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3
2. Properties
- 2.1 Density
- 1.393
- 2.1 Melting point
- 229-233℃
- 2.1 Boiling point
- 529.4 °C at 760 mmHg
- 2.1 Refractive index
- n20/D 1.418(lit.)
- 2.1 Flash Point
- 274 °C
- 2.2 Precise Quality
- 225.10100
- 2.2 PSA
- 66.49000
- 2.2 logP
- 2.03800
- 2.2 Solubility
- H2O: soluble
- 2.3 VaporDensity
- >1 (vs air)
- 2.4 Appearance
- white to light yellow crystal powder
- 2.5 Storage
- Ambient temperatures.
- 2.6 Chemical Properties
- white to light yellow crystal powder
- 2.7 Color/Form
- Powder
- 2.8 Odor
- Characteristic acrylic.
- 2.9 pKa
- 9.36±0.20(Predicted)
- 2.10 Water Solubility
- H2O: soluble
- 2.11 Spectral Properties
- MASS: 64730 (NIST/EPA/MSDC Mass Spectral Database 1990 version)
IR: 3:1285B (Aldermaston, Eight Peak Index of Mass Spectra, U.K.)
- 2.12 Stability
- Stable. Incompatible with strong oxidizing agents.
- 2.13 StorageTemp
- 2-8°C
3. Use and Manufacturing
- 3.1 Agricultural Uses
- Plant growth regulator: A plant growth regulator used to lengthen and enhancethe shape of apples and to increase the fruit set inpears. It increases the yield of pistachios and tomatoes.Not listed for use in EU countries. Registered for usein the U.S.
- 3.2 Chemical Reactivity
- Reactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Polymerizes upon exposure to heat; uncontrolled bulk polymerization can be explosive; Inhibitor of Polymerization: Methyl ether of hydroquinone: 15-100 ppm. Store in contact with air.
- 3.3 Definition
- ChEBI: A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group.
- 3.4 Potential Exposure
- A polyamine plant growth regulatorused to lengthen and enhance the shape of apples and toincrease the fruit set in pears. It increases the yield of pistachiosand tomatoes. Not listed for use in the EU countries.
- 3.5 Purification Methods
- It is purified by recrystallisation from aqueous EtOH. It has at 207 and 270nm (H2O), 268 nm max (pH 6), 274nm (0.1 N HCl) and 275nm (0.1 N NaOH). [Daly J Org Chem 21 1553 1956, Bullock et al. J Am Chem Soc 78 3693 1956, Beilstein 26 III/IV 3575.]
- 3.6 Usage
- 6-Benzylaminopurine can be used as inhibitor of respiratory kinase in plants.
- 3.7 Waste Disposal
- Dissolve or mix the materialwith a combustible solvent and burn in a chemical incineratorequipped with an afterburner and scrubber. All federal,state, and local environmental regulations must beobserved. 6-Benzylaminopurine Preparation Products And Raw materials Raw materials
4. Safety and Handling
- 4.1 Hazard Codes
- Xi; Xn
- 4.1 Risk Statements
- R36/37/38
- 4.1 Safety Statements
- S24/25
- 4.1 Packing Group
- I; II; III
- 4.1 Octanol/Water Partition Coefficient
- log Kow = 1.57
- 4.2 Other Preventative Measures
- SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
The Worker Protection Standard requires a Restricted Entry Interval (REI) of 12 hours for pesticide active ingredients /such as N6-benzyladenine/ with acute dermal toxicity and skin and eye irritation in toxicity categories III and IV.
Users should wash hands before eating, drinking, chewing gum, using tobacco or using the toilet. Remove clothing/PPE immediately if pesticide gets inside. Then wash thoroughly and put on clean clothing. Remove PPE immediately after handling this product. Wash the outside of gloves before removing. As soon as possible, wash thoroughly and change into clean clothing. /Configure/
If on skin or clothing take off contaminated clothing and rinse skin immediately with plenty of water for 15-20 minutes. /Configure/
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
Avoid contact with eyes and clothing. Harmful if inhaled. Avoid breathing spray dust. Wash thoroughly with soap and water after handling. Remove contaminated clothing and wash before reuse. /6-Benzylaminopurine Technical/
- 4.3 DisposalMethods
- PESTICIDE DISPOSAL: Wastes resulting from the use of this product may be disposed of on site or at an approved waste disposal facility. CONTAINER DISPOSAL: Completely empty bag into manufacturing equipment. Then dispose of empty bag in /accordance with Federal, state, and local laws/. /6-Benzylaminopurine Technical/
Do not discharge effluent containing this product into lakes, streams, ponds, estuaries, oceans, or other waters unless in accordance with the requirements of a National Pollutant Discharge Elimination System (NPDES) permit and the permitting authority has been notified in writing prior to discharge. Do not discharge effluent containing this product to sewer systems without previously notifying the local sewage treatment plant authority. For guidance, contact your Regional Office of the EPA. Do not contaminate water when disposing of equipment washwaters. /6-Benzylaminopurine Technical/
For terrestrial uses. Do not apply directly to water, to areas where surface water is present or to intertidal areas below the mean high water mark. Do not contaminate water when disposing of equipment wash waters or rinsate...Do not apply this product through any type of irrigation system. /Configure/
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
- 4.4 RIDADR
- UN 2348 3/PG 3
- 4.4 Safety Profile
- Moderately toxic by ingestion andskin contact. Human mutation data reported. Whenheated to decomposition it emits toxic vapors of NOx.
- 4.5 Formulations/Preparations
- ACCEL PLANT GROWTH REGULATOR SOLUTION: Active ingredients 1.80% N-(Phenylmethyl)-1H-purin-6-amine and 0.18% Gibberellin A4 mixt. with Gibberellin A7
AGTROL 6-B: Active ingredients 1.80% N-(Phenylmethyl)-1H-purin-6-amine and 0.18% Gibberellin A4 mixt. with Gibberellin A7
6-BENZYLADENINE TECHNICAL (2 products): Active ingredient 99.0 and 97.90% N-(Phenylmethyl)-1H-purin-6-amine
BA6 TECHNICAL: Active Ingredient 98.2% N-(Phenylmethyl)-1H-purin-6-amine
BAP-TECHNICAL: Active ingredient 98.80% N-(Phenylmethyl)-1H-purin-6-amine
CHRYSAL BVB: Active ingredients 1.80% N-(Phenylmethyl)-1H-purin-6-amine and 1.80% Gibberellin A4 mixt. with Gibberellin A7
CONFIGURE and EXILIS PLUS: Active ingredient 2.00% N-(Phenylmethyl)-1H-purin-6-amine
LT BIOSYN 6-BENZYLAMINOPURINE TECHNICAL: Active Ingredient 99.0% N-(Phenylmethyl)-1H-purin-6-amine
MAXCEL: Active Ingredient 1.90% N-(Phenylmethyl)-1H-purin-6-amine
PERLAN: Active ingredients 1.80% N-(Phenylmethyl)-1H-purin-6-amine and 1.80% Gibberellin A4 mixt. with Gibberellin A7
PROMALIN PLANT GROWTH REGULATOR SOLUTION: Active ingredients 1.80% N-(Phenylmethyl)-1H-purin-6-amine and 1.80% Gibberellin A4 mixt. with Gibberellin A7
RITEWAY: Active Ingredient 1.90% N-(Phenylmethyl)-1H-purin-6-amine
TYPY PLANT GROWTH REGULATOR: Active ingredients 1.80% N-(Phenylmethyl)-1H-purin-6-amine and 1.80% Gibberellin A4 mixt. with Gibberellin A7
Paste
6-Benzylaminopurine technical
Water soluble concentrate
- 4.6 Incompatibilities
- May react with strong oxidizers such aschlorates, peroxides, nitrates, etc. May release heat on contactwith water. Solid and corrosive amines are chemicalbases. Neutralize acids to form salts plus water in exothermicreactions. May be incompatible with isocyanates, halogenatedorganics, peroxides, phenols (acidic), epoxides,anhydrides, and acid halides. May generate flammable gaseoushydrogen in combination with strong reducing agents,such as hydrides.
- 4.7 WGK Germany
- 3
- 4.7 RTECS
- UD3150000
- 4.7 Protective Equipment and Clothing
- The Agency's Worker Protection Standard (WPS) sets standards for Personal Protective Equipment (PPE) for pesticide products based on the acute toxicity of the end-use product. Because the formulated products which contain N6-benzyladenine are in toxicity category II, the use of the following PPE is required: coveralls over short-sheeved shirt and short pants; chemical-resistant footwear plus socksl chemical-resistant gloves; chemical-resistant headgear for overhead exposure; respiratory protection devices; protective eyewear; and chemical-resistant apron when cleaning equipment, mixing, or loading.
The use of a respirator and chemical-resistant gloves is also expected to adequately protect the applicator and mixer/loader ... The primary route of exposure is expected to be dermal. Chemical-resistant gloves and appropriate respiratory protection devices will mitigate the exposure substantially and adequately.
AGRICULTURAL USE REQUIREMENTS. Use this product only in accordance with its labelling and with the Worker Protection Standard, 40 CFR Part 170 . This Standard contains requirements for the protection of agricultural workers on farms, forests, nurseries, and greenhouses, and handlers of agricultural pesticides It contains requirements for training, decontamination, notification and emergency assistance It also contains specific instructions and exceptions pertaining to the statements on the label about personal protective equipment (PPE) and restricted entry intervals ... Do no enter or allow entry into treated areas during the restricted entry interval (REI) of 12 hours. PPE required for early entry to treated areas that is permitted under the Worker Protection Standard and that involves contact with anything that has been treated such as, plants, soil or water is: Coveralls; Shoes plus socks; Chemical-resistant gloves such as barrier laminate, butyl rubber, nitrile rubber, neoprene rubber, polyvinyl chloride or viton. /Configure/
Some materials that are chemical-resistant to this product are listed below. If you want more options, follow the instructions for Category C on an EPA chemical-resistance selection chart. Applicators and other handlers must wear: Longsleeved shirt and long pants; Chemical-resistant gloves such as barrier laminate, butyl rubber, nitrile rubber, neoprene rubber, polyvinyl chloride or.viton; Socks and shoes. Follow the manufacturer's instructions for cleaning/maintaining PPE. If no such instructions for yvashables, use detergent and hot water. Keep and wash PPE items separately from other laundry. /Configure/
- 4.8 Report
-
Reported in EPA TSCA Inventory.
- 4.9 Skin, Eye, and Respiratory Irritations
- Causes eye irritation /6-Benzylaminopurine Technical/
- 4.10 Safety
-
Hazard Codes:?
Xi,Xn
Risk Statements: 36/37/38-20/21/22
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.?
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 9-24/25-36/37/39-26-23?
S9: Keep container in a well-ventilated place.?
S24/25: Avoid contact with skin and eyes.?
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S23: Do not breathe vapour.
RIDADR: UN 2348 3/PG 3
WGK Germany: 3
RTECS: UD3150000
F: 8
HS Code: 29335995
Moderately toxic by ingestion and skin contact. Human mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
- 4.11 Specification
-
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.?
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Keep refrigerated. (Store below 4°C/39°F.) Store in a tightly closed container. Store in a dry area.
- 4.12 Toxicity
-
| Organism |
Test Type |
Route |
Reported Dose (Normalized Dose) |
Effect |
Source |
| mouse |
LD50 |
oral |
1300mg/kg (1300mg/kg) |
SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) |
Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 19, Pg. 336, 1972. |
| mouse |
LD50 |
skin |
> 5gm/kg (5000mg/kg) |
? |
Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 19, Pg. 336, 1972. |
| mouse |
LD50 |
subcutaneous |
> 2300mg/kg (2300mg/kg) |
? |
Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 19, Pg. 336, 1972. |
| rat |
LD50 |
oral |
2125mg/kg (2125mg/kg) |
SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) |
Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 19, Pg. 336, 1972. |
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Skin irritation, Category 2
Eye irritation, Category 2
Specific target organ toxicity \u2013 single exposure, Category 3
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. |
| Response | P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. |
| Storage | P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up. |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
1214-39-7Total: 15 Synthesis Route
9. Other Information
- 9.0 Usage
- Inhibitor of respiratory kinase in plants. Increases post-harvest life of green vegetables6-Benzyladenine is a plant growth regulator used to stimulate growth in apples, melons, oranges, roses, pears, sweet cherries and white pine trees. It is also used to establish and screen the optimal rapid propagation technology of S. tonkinensis by orthogonal test.
- 9.1 Uses
- 6-Benzylaminopurine can be used as inhibitor of respiratory kinase in plants.
- 9.2 uses
- 6-Benzylaminopurine is a plant growth regulator that belongs to the class of first generation synthetic cytokinin used in agriculture.
6-Benzylaminopurine has been used:
to induce sprouting in plant materials.
in seed germination medium for culturing of seeds.
to modify Murashige and Skoog (MS) media for shoot initiation.
6-Benzylaminopurine, benzyl adenine (BAP) is a synthetic cytokinin which together with auxins elicits plant growth and development responses. BAP is a widely use cytokinin supplement to plant growth media such as Murashige and Skoog medium, Gamborg’s medium, and Chu’s N6 medium.
- 9.3 Uses
-
6-Benzylaminopurine may be used as an analytical reference standard for the determination of 6-benzylaminopurine in:
- Bean sprouts by QuEChERS (quick, easy, cheap, effective, rugged and safe) extraction and liquid chromatography-tandem mass spectrometry (LC-MS/MS) equipped with electrospray ionization (ESI), and selected reaction monitoring (SRM) detection.
- Leaves of Stevia rebaudiana (Bertoni) from plants cultivated under chilling stress conditions by ESI-LC with Fourier Transform (FT)-Orbitrap, ESI-LC coupled to triple quadrupole mass spectrometry (QqQ-MS) with multiple reaction monitoring (MRM) detection, and multivariate data analysis.
- Seaweed and algae extracts by high performance LC with photodiode array detection (PDA).
- 9.4 BRN
- 19406
- 9.5 Chemical Properties
- white to light yellow crystal powder
- 9.6 Chemical Properties
- Colorless to off-white or yellow powder. Corrosive.
- 9.7 Uses
- Inhibitor of respiratory kinase in plants
- 9.8 Definition
- ChEBI: A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group.
- 9.9 Health Hazard
- Recommended Personal Protective Equipment: Self-contained breathing apparatus, rubber gloves, acid goggles; Symptoms Following Exposure: Vapor is irritating when breathed at high concentrations. Contact with liquid causes irritation of skin and burning of eyes; General Treatment for Exposure: INHALATION: remove to fresh air; administer artificial respiration or oxygen if indicated; call a physician. SKIN AND EYES: wash with plenty of water; Toxicity by Inhalation (Threshold Limit Value): Data not available; Short-Term Exposure Limits: LD50 100 ppm, 4 hr; Toxicity by Ingestion: Grade 2; LD50 = 0.5 to 5 g/kg (rat); Late Toxicity: Data not available; Vapor (Gas) Irritant Characteristics: Vapors cause a slight smarting of the eyes or respiratory system if present in high concentrations. The effect is temporary; Liquid or Solid Irritant Characteristics: Minimum hazard. If spilled on clothing and allowed to remain, may cause smarting and reddening of the skin; Odor Threshold: Data not available.
- 9.10 Fire Hazard
- Flash Point (°F): 118 ℃; Flammable Limits in Air (%): 1.4-9.4; Fire Extinguishing Agents: Dry chemical, foam or carbon dioxide; Fire Extinguishing Agents Not To Be Used: Not pertinent; Special Hazards of Combustion Products: Not pertinent; Behavior in Fire: Not pertinent; Ignition Temperature (°F): 534; Electrical Hazard: Not pertinent; Burning Rate: 4.7 mm/min.
- 9.11 Chemical Reactivity
- Reactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Polymerizes upon exposure to heat; uncontrolled bulk polymerization can be explosive; Inhibitor of Polymerization: Methyl ether of hydroquinone: 15-100 ppm. Store in contact with air.
- 9.12 Agricultural Uses
- Plant growth regulator: A plant growth regulator used to lengthen and enhance the shape of apples and to increase the fruit set in pears. It increases the yield of pistachios and tomatoes. Not listed for use in EU countries. Registered for use in the U.S.
- 9.13 Trade name
- ABG® 3034; ACCEL®; AGTROL®; 6-BA®; BA® (growth stimulant); CHRYSAL BVB®; EXILIS®; PERLAN®; PROMALIN®; SD® 4901; SQ® 4609
- 9.14 Potential Exposure
- A polyamine plant growth regulator used to lengthen and enhance the shape of apples and to increase the fruit set in pears. It increases the yield of pistachios and tomatoes. Not listed for use in the EU countries.
- 9.15 Shipping
- UN3259 Amines, solid, corrosive, n.o.s, or Polyamines, solid, corrosive, n.o.s., Hazard class: 8; Labels: 8—Corrosive material, Technical Name Required.
- 9.16 Purification Methods
- It is purified by recrystallisation from aqueous EtOH. It has at 207 and 270nm (H2O), 268 nm max (pH 6), 274nm (0.1 N HCl) and 275nm (0.1 N NaOH). [Daly J Org Chem 21 1553 1956, Bullock et al. J Am Chem Soc 78 3693 1956, Beilstein 26 III/IV 3575.]
- 9.17 Incompatibilities
- May react with strong oxidizers such as chlorates, peroxides, nitrates, etc. May release heat on contact with water. Solid and corrosive amines are chemical bases. Neutralize acids to form salts plus water in exothermic reactions. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate flammable gaseous hydrogen in combination with strong reducing agents, such as hydrides.
- 9.18 Waste Disposal
- Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
10. Computational chemical data
- Molecular Weight: 225.24924g/mol
- Molecular Formula: C12H11N5
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 225.10144537
- Monoisotopic Mass: 225.10144537
- Complexity: 241
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 66.5
- Heavy Atom Count: 17
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBzgAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB/AAAHAAQAAAADAjBHwQ18L7JkACgAyZjZACCgC2xEKAJ2aAoVJiIaCLA2VGUJAhogALIiCcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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