Molecule structure of 3-Amino-1-phenyl-5H-pyrido(4,3-b)indole acetate (CAS NO.75240-16-3) :
IUPAC Name: acetic acid; 1-phenyl-5H-pyrido[4,3-b]indol-3-amine
Molecular Weight: 319.35718 g/mol
Molecular Formula: C19H17N3O2
Boiling Point: 558.2 °C at 760 mmHg
Flash Point: 325.7 °C
Enthalpy of Vaporization: 84.02 kJ/mol
Vapour Pressure: 1.71E-12 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Tautomer Count: 6
Exact Mass: 319.132077
MonoIsotopic Mass: 319.132077
Topological Polar Surface Area: 92
Heavy Atom Count: 24
Complexity: 370
Canonical SMILES: CC(=O)O.C1=CC=C(C=C1)C2=C3C4=CC=CC=C4NC3=CC(=N2)N
InChI: InChI=1S/C17H13N3.C2H4O2/c18-15-10-14-16(12-8-4-5-9-13(12)19-14)17(20-15)11-6-2-1-3-7-11;1-2(3)4/h1-10,19H,(H2,18,20);1H3,(H,3,4)
InChIKey of 3-Amino-1-phenyl-5H-pyrido(4,3-b)indole acetate (CAS NO.75240-16-3) : HJJKUZBZMFJEAC-UHFFFAOYSA-N
1. | mic-sat 50 ng/plate | CRNGDP Carcinogenesis. 1 (1980),451. |
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
3-Amino-1-phenyl-5H-pyrido(4,3-b)indole acetate (CAS NO.75240-16-3) is also called 5H-Pyrido(4,3-b)indol-3-amine, 1-phenyl-, monoacetate ; 5H-Pyrido(4,3-b)indol-3-amine, 1-phenyl-, monoacetate ; 5H-Pyrido(4,3-b)indole, 3-amino-1-phenyl-, acetate .
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