HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Amino-1-methyl-5H-pyrido(4,3-b)indole
3-AMINO-1-METHYL-PYRIDO(4,3-B)INDOLE · 2-Amino-4-methyl-3,9-diaza-9H-fluorene · 3-AMINO-1-METHYL-5-PYRIDO(4,3-B)INDOLE · 1-Methyl-3-aMino-5H-pyrido[4,3-b]indole · 5H-Pyrido[4,3-b]indol-3-amine, 1-methyl- · 3-AMINO-1-METHYL-5H-PYRIDO(4,3-BETA)INDOLE · 3-Amino-1-methyl-5H-pyrido[4,3-b]indole Discontinued. See A618001
Identifiers & Physical Properties
| CAS No. | 62450-07-1 |
|---|---|
| Molecular formula | C12H11N3 |
| Average molar mass | 197.24 g/mol |
| Monoisotopic mass | 197.09529736 g/mol |
| SMILES | Cc1nc(N)cc2[nH]c3ccccc3c12 |
| InChIKey | LKKMLIBUAXYLOY-UHFFFAOYSA-N |
| PubChem CID | 5284476 |
| ChEMBL | CHEMBL365481 |
| ChEBI | CHEBI:34328 |
| DTXSID | DTXSID5043768 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 54.7 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 243 |
| Melting point | 242 - 247 °C>300°C |
| Physical Description | Solid |
| Boiling point | 324.34°C (rough estimate) |
| Density | 1.1793 (rough estimate) |
| Refractive index | 1.6500 (estimate) |
| pKa (acidity coefficient) | 15.59±0.40(Predicted) |
| FDA UNII | 775UJ9HCTR |
| IARC | 2B (Vol. 31, Sup 7) 1987 |
| EPA Substance Registry System | Tryptophan-P-2 (62450-07-1) |
| UN transport number | 2811 |
| Hazard class | 6.1(b) |
| Packing group | III |
Safety & Regulations
| Regulatory information | Hazard Traits - Carcinogenicity |
|---|---|
| Carcinogen Classification | Trp-P-2 (3-Amino-1-methyl-5H-pyrido[4,3-b]indole)Group 2B: Possibly carcinogenic to humansVolume 31: (1983) Some Food Additives, Feed Additives and Naturally Occurring Substances1987 |
| RAIS Toxicity Values | 0.00091CALEPA3.2 |
| UN transport number | 2811 |
| Hazard class | 6.1(b) |
| Packing group | III |
Applications & Uses
Uses
Carcinogen