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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5284474Generated: November 1, 2026

3-Amino-1,4-dimethyl-5H-pyrido(4,3-b)indole

Trp-P-1 · TRYPTOPHAN P 1) · 3-AMINO-1,4-DIMETHYL-PYRIDO(4,3-B)INDOLE · PYRIDO(4,3-B)INDOLE,3-AMINO-1,4-DIMETHYL- · 3-AMINO-1,4-DIMETHYL-5-PYRIDO(4,3-B)INDOLE · 1,4-Dimethyl-5H-pyrido[4,3-b]indol-3-amine · 1,4-Dimethyl-3-amino-5H-pyrido[4,3-b]indole · 5H-Pyrido[4,3-b]indol-3-amine, 1,4-dimethyl-

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3-Amino-1,4-dimethyl-5H-pyrido(4,3-b)indole molecular structure

Identifiers & Physical Properties

CAS No.62450-06-0
Molecular formulaC13H13N3
Average molar mass211.26 g/mol
Monoisotopic mass211.11094743 g/mol
SMILESCc1c(N)nc(C)c2c1[nH]c1ccccc12
InChIKeyLVTKHGUGBGNBPL-UHFFFAOYSA-N
PubChem CID5284474
ChEBICHEBI:82376
DTXSIDDTXSID0043767

Chemical & Physical Properties

XLogP2
Topological polar surface area54.7
Hydrogen bond donors2
Hydrogen bond acceptors2
Rotatable bonds0
Heavy atoms16
Formal charge0
Complexity268
Melting point252 - 262 °C238.4-240.2 °C
Physical DescriptionSolid
Boiling point340.95°C (rough estimate)
Density1.1536 (rough estimate)
Refractive index1.6000 (estimate)
pKa (acidity coefficient)16.02±0.40(Predicted)
FDA UNIILAH2R5Z22D
Proposition 65 ListTrp-P-1 (Tryptophan-P-1)
IARC2B (Vol. 31, Sup 7) 1987
EPA Substance Registry SystemTryptophan-P-1 (62450-06-0)
UN transport number2811
Hazard class6.1(b)
Packing groupIII

Safety & Regulations

Regulatory informationHazard Traits - Carcinogenicity
Carcinogen ClassificationTrp-P-1 (3-Amino-1,4-dimethyl-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 Values0.0074CALEPA26
UN transport number2811
Hazard class6.1(b)
Packing groupIII