3-AMINO-1,4-DIMETHYL-5H-PYRIDO[4,3-B]INDOLE, ACETATE

Molecule structure of 3-Amino-1,4-dimethyl-5H-pyrido(4,3-b)indole acetate (CAS NO.68808-54-8) :

IUPAC Name: acetic acid; 1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine 
Molecular Weight: 271.31438 g/mol
Molecular Formula: C₁₅H₁₇N₃O₂ 
Melting Point: 250-260 °C
Boiling Point: 460.2 °C at 760 mmHg
Flash Point: 263 °C
Enthalpy of Vaporization: 72.08 kJ/mol
Vapour Pressure: 1.19E-08 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 4
Tautomer Count: 6
Exact Mass: 271.132077
MonoIsotopic Mass: 271.132077
Topological Polar Surface Area: 92
Heavy Atom Count: 20
Complexity: 299
Canonical SMILES: CC1=C(N=C(C2=C1NC3=CC=CC=C32)C)N.CC(=O)O
InChI: InChI=1S/C13H13N3.C2H4O2/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12;1-2(3)4/h3-6,16H,1-2H3,(H2,14,15);1H3,(H,3,4)
InChIKey: UXNRBAJNAWIPGF-UHFFFAOYSA-N
Product Categories: Detergents; Mutagenesis Research Chemicals

 3-Amino-1,4-dimethyl-5H-pyrido(4,3-b)indole acetate (CAS NO.68808-54-8) is highly mutagenic in the Ames test. Investigations have shown that broiled fish, fried beef and commercial beef extracts, and protein pyrolysates contain this mutagen.

Suspected carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.
Hazard Codes: Xi
Hazard Note: Irritant/Mutagen

 3-Amino-1,4-dimethyl-5H-pyrido(4,3-b)indole acetate (CAS NO.68808-54-8) is also called 5H-Pyrido(4,3-b)indol-3-amine, 1,4-dimethyl-, acetate ; 5H-Pyrido(4,3-b)indol-3-amine, 1,4-dimethyl-, monoacetate ; CCRIS 1409 ; Trp-P-1 (acetate) . 3-Amino-1,4-dimethyl-5H-pyrido(4,3-b)indole acetate (CAS NO.68808-54-8) is beige-brown crystalline solid. 3-Amino-1,4-dimethyl-5H-pyrido(4,3-b)indole acetate (CAS NO.68808-54-8) is toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry.