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Home> Hot Product Listed 1   > 1,3-Dioxolo[4,5-b]acridin-10(5H)-one,11-methoxy-5-methyl-
94-24-6 structure

1,3-Dioxolo[4,5-b]acridin-10(5H)-one,11-methoxy-5-methyl-

Iupac Name:2-(dimethylamino)ethyl 4-(butylamino)benzoate
CAS No.:94-24-6
Molecular Weight:264.369
Molecular Formula:C28H31N3O2 (isomer)
Names and Identifiers
Synonyms

1,3-dioxolo[4,5-b]acridin-10(5h)-one, 11-methoxy-5-methyl- 1,5-b]acridin-10(5h)-one, 11-methoxy-5-methyl- 11-methoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10(5h)-one 11-methoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one 11-methoxy-5-methyl-1,3-dioxolo[4,5-b]acridin-10 -one 11-methoxy-5-methyl-2h,5h,10h-[1,3]dioxolo[4,5-b]acridin-10-one AC1L89NX AK315205 AKOS027323264 CTK8I8341 evoxanthine Evoxanthine(6CI,7CI) mls003373786 NSC 407812 nsc407812 nsc-407812 PL027223 smr002048583 ULBVHYNIDQSMFC-UHFFFAOYSA-N ZINC5495493

Inchi
InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
InChkey
GKCBAIGFKIBETG-UHFFFAOYSA-N
Canonical Smiles
CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C
Properties
Refractive Index
1.537
Flash Point
94.3°C
Safety and Handling
Risk Statements
R22;R40;R42/43
Safety Statements
S22;S36/37
Transport
UN 2811
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Skin sensitization, Category 1

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H317 May cause an allergic skin reaction

H351 Suspected of causing cancer

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

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

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

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

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

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:264.369g/mol
  • Molecular Formula:C28H31N3O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.7
  • Exact Mass:264.184
  • Monoisotopic Mass:264.184
  • Complexity:249
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:41.6A^2
  • Heavy Atom Count:19
  • 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: AAADceBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADAjhmAYyyIPABACI AiTSSACCAAAlAgAIiIEIbMgKJjLAtZmHMQhk0AHY6YeY2SOeCAAAAAAAAAAQAAAAAAAAAAAAAAAA AA==
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