Basic information
- CAS
62450-06-0- Standard SMILES
Cc1c(N)nc(C)c2c1[nH]c1ccccc12- InChIKey
LVTKHGUGBGNBPL-UHFFFAOYSA-N- Molecular formula
- C13H13N3
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.11094743
Overview
Trp-P-1 (Tryptophan-P-1) can cause cancer according to an independent committee of scientific and health experts.
Names & identifiers
- Preferred name
- 3-Amino-1,4-dimethyl-5H-pyrido(4,3-b)indole
- IUPAC
- 1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine
- English name
- Trp-P-1
- Molecular formula
- C13H13N3
- Molecular weight
- 211.26
Names & synonyms
Trp-P-162450-06-01,4-dimethyl-5H-pyrido[4,3-b]indol-3-amineTryptophan-P-13-AMINO-1,4-DIMETHYL-5H-PYRIDO(4,3-B)INDOLE3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole3-Amino-1,4-dimethyl-gamma-carbolineLAH2R5Z22D1,4-Dimethyl-9H-pyrido(4,3-b)indol-3-amine5H-Pyrido(4,3-b)indol-3-amine, 1,4-dimethyl-DTXSID00437671,4-Dimethyl-5H-Pyrido(4,3-b)indol-3-amine
Show more names
TRYPTOPHAN P 1)3-AMINO-1,4-DIMETHYL-PYRIDO(4,3-B)INDOLEPYRIDO(4,3-B)INDOLE,3-AMINO-1,4-DIMETHYL-3-AMINO-1,4-DIMETHYL-5-PYRIDO(4,3-B)INDOLE1,4-Dimethyl-3-amino-5H-pyrido[4,3-b]indole3-AMINO-1,4-DIMETHYL-5H-PYRIDAL(4,3-B)INDOLE3-AMINO-1,4-DIMETHYL-5H-PYRIDO(4,3-B)-INDOLE
5H-Pyrido[4,3-b]indol-3-amine, 1,4-dimethyl-RefChem:25894DTXCID8023767Tryptophan P1Trp-1Trytophan pyrolysate 1CCRIS 1414UNII-LAH2R5Z22D
Database identifiers
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Experimental & physicochemical properties
Melting Point252 - 262 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 238.4 · 238.4-240.2 °C
- Boiling point
- 340.95 °C · 340.95°C (rough estimate)
- Density
- 1.1536 · 1.1536 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 16.02 · 16.02±0.40(Predicted)
- FDA UNII
- 2 R5Z22D · LAH2R5Z22D
- Proposition 65 List
- -1 · Trp-P-1 (Tryptophan-P-1)
- IARC
- 2 B · 2B (Vol. 31, Sup 7) 1987
- EPA Substance Registry System
- -1 · Tryptophan-P-1 (62450-06-0)
- RIDADR
- 2811 · 2811
- HazardClass
- 6.1 · 6.1(b)
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
Trp-P-1 (3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole)
Group 2B: Possibly carcinogenic to humans
Volume 31: (1983) Some Food Additives, Feed Additives and Naturally Occurring Substances
1987
1987
RAIS Toxicity Values
0.0074
CALEPA
26
CALEPA
Safety data
- ridadr
- 2811
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationChemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
Cellular LocationsMembrane
Suppliers2 total
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
Additional notes
DefinitionChEBI: Trp-P-1 is a pyridoindole.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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