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Home> Encyclopedia > Hot Product Listed 6   > 6H-Purin-6-one,2,8-diamino-1,9-dihydro-9-(2-thienylmethyl)-
112-18-5 structure

6H-Purin-6-one,2,8-diamino-1,9-dihydro-9-(2-thienylmethyl)-

Iupac Name:N,N-dimethyldodecan-1-amine
CAS No.:112-18-5
Molecular Weight:213.4
Molecular Formula:C11H18O (isomer)
Names and Identifiers
Synonyms

2,8-Diamino-1,9-dihydro-9-(2-thienylmethyl)-6H-purin-6-one 2,8-Diamino-9-(2-thienylmethyl)-6,9-dihydro-1H-purine-6-one 2,8-diamino-9-(thiophen-2-ylmethyl)-3h-purin-6-one 6h-purin-6-one, 2,8-diamino-1,9-dihydro-9-(2-thienylmethyl)- 8-amino-9-(2-thienylmethyl)guanine 8-amino-9-[(2-thienyl)methyl]guanine 8-amino-9-[(thien-2-yl)methyl]guanine AC1L3UEZ ACMC-1CEUY AKOS030559032 bdbm50005795 CHEMBL285627 CTK4A2790 DTXSID50146326 HANOSGYMKMNFON-UHFFFAOYSA-N HE291710 pd 119229 pd-119,229 pd-119229 pd-119229-2 SCHEMBL9665264

Inchi
InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3
InChkey
YWFWDNVOPHGWMX-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCCCCCN(C)C
Isomers Smiles
CCCCCCCCCCCCN(C)C
Properties
Density
1.56
Melting Point
−20 °C(lit.)
Boiling Point
505.9°Cat760mmHg
Vapour
<129 mm Hg ( 21 °C)
Refractive Index
n20/D 1.4375(lit.)
Flash Point
265.1°C
HS Code
2921199090
Safety and Handling
Risk Statements
22-34-50/53
Safety Statements
26-36/37/39-45-60-61
HazardClass
8
PackingGroup
III
Transport
UN 2735 8/PG 2
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin corrosion, Category 1B

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H314 Causes severe skin burns and eye damage

H400 Very toxic to aquatic life

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:213.4g/mol
  • Molecular Formula:C11H18O
  • Compound Is Canonicalized:True
  • XLogP3-AA:5.9
  • Exact Mass:213.246
  • Monoisotopic Mass:213.246
  • Complexity:110
  • Rotatable Bond Count:11
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:3.2A^2
  • Heavy Atom Count:15
  • 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: AAADceByAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAAAAAACADBAAQCAAMAAAAA AAAAAAAAAAAAAAAAAAAIAAAAAAIAgAAEAAAAAAAAAAEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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