2-Amino-3-methyl-9H-pyrido(2,3-b)indole
Basic information
- CAS
68006-83-7- Standard SMILES
Cc1cc2c(nc1N)[nH]c1ccccc12- InChIKey
IVLCGFRPPGNALI-UHFFFAOYSA-N- Molecular formula
- C12H11N3
- Average molar mass
- 197.24 g/mol
- Monoisotopic mass
- 197.09529736
Overview
Me-A-alpha-C (2-Amino-3-methyl-9H-pyrido[2,3-b]indole) can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).
Names & identifiers
- Preferred name
- 2-Amino-3-methyl-9H-pyrido(2,3-b)indole
- IUPAC
- 3-methyl-9H-pyrido[2,3-b]indol-2-amine
- English name
- 2-Amino-3-methyl-9H-pyrido[2,3-b]indole
- Molecular formula
- C12H11N3
- Molecular weight
- 197.24
Names & synonyms
2-Amino-3-methyl-9H-pyrido[2,3-b]indole68006-83-7Mea-alpha-CGlob-P-12-AMINO-3-METHYL-9H-PYRIDO(2,3-B)INDOLE2-Amino-3-methyl-alpha-carboline1H-Pyrido(2,3-b)indol-2-amine, 3-methyl-20AI638WCJDTXSID5043766MeAalphaC2-A-3-MPIRefChem:85136
Show more names
MEACMEAACMETHYLA-ALPHAC2-Amino-3-methyl-α-carboline2-AMINO-3-METHYL-PYRIDO(2,3-B)INDOLE3-Methyl-9H-1,9-diazafluoren-2-aMine3-methyl-1h-pyrido(2,3-b)indol-2-amine3-b)indole,2-amino-3-methyl-9h-pyrido(
DTXCID30237663-methyl-9H-pyrido[2,3-b]indol-2-amineCCRIS 34Me-A-alpha-C3-Methyl-2-amino-alpha-carboline2-Amino-3-methyl-1H-pyrido(2,3-b)indoleBRN 4313032UNII-20AI638WCJ
Database identifiers
- CAS
68006-83-7- PubChem CID
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Experimental & physicochemical properties
LogP2.9
Physicochemical properties
- Melting point
- 215 · 215-218
- Boiling point
- 324.34 °C · 324.34°C (rough estimate)
- Density
- 1.1793 · 1.1793 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Sparingly, Heated), DMSO (Slightly), Ethyl Acetate (Sparingly), Meth
- pka
- 15.25 · 15.25±0.40(Predicted)
- form
- Solid
- color
- Light Orange to Brown
- FDA UNII
- 20 AI638WCJ · 20AI638WCJ
- IARC
- 2 B · 2B (Vol. 40, Sup 7) 1987
- EPA Substance Registry System
- 2 · 2-Amino-3-methyl-9H-pyrido(2,3-b)indole (68006-83-7)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationHazard Traits - Carcinogenicity
Toxicology
Carcinogen Classification
MeA-alpha-C (2-Amino-3-methyl-9H-pyrido[2,3-b]indole)
Group 2B: Possibly carcinogenic to humans
Volume 40: (1986) Some Naturally Occurring and Synthetic Food Components, Furocoumarins and Ultraviolet Radiation
1987
1987
RAIS Toxicity Values
0.00034
CALEPA
1.2
CALEPA
Safety data
- ridadr
- 2811
- hs_code
- 2933998090
- hazard_code
- Xi
- hazard_note
- Irritant/Mutagen
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Applications
UsesA pyrolysate of protein that exhibits potent mutagenic principles toward Salmonella typhimurium TA98 and TA100. 2-Amino-9H-pyrido[2,3-b]indole (AαC) and 2-amino-3-methyl-9H-pyrido[2,3-b]indole (MeAαC) are two mutagenic and carcinogenic heterocyclic amines formed during ordinary cooking.
Additional notes
DefinitionChEBI: 2-Amino-3-methyl-9H-pyrido[2,3-b]indole is a pyridoindole.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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