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219959-86-1

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Basic Information
CAS No.: 219959-86-1
Name: 9-(4'-AMINOPHENYL)-9H-PYRIDO[3,4-B]INDOLE
Molecular Structure:
Molecular Structure of 219959-86-1 (9-(4'-AMINOPHENYL)-9H-PYRIDO[3,4-B]INDOLE)
Formula: C17H13 N3
Molecular Weight: 259.31
Synonyms: 9-(4'-Aminophenyl)-9H-pyrido[3,4-b]indole
Density: 1.26g/cm3
Melting Point: 208-211°C
Boiling Point: 500.9°Cat760mmHg
Flash Point: 256.7°C
Hazard Symbols: A poison by ingestion.
Safety: A poison by ingestion. Questionable carcinogen with experimental neoplastigenic data reported. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 43.84000
LogP: 4.34210
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Chemistry

IUPAC Name: 4-Pyrido[3,4-b]indol-9-ylaniline
Following is the structure of Aminophenylnorharmane (CAS NO.219959-86-1):
             
Empirical Formula: C17H13N3
Molecular Weight: 259.3052 g/mol
Surface Tension: 53.3 dyne/cm
Index of Refraction: 1.706
Melting point: 208-211°C
Density: 1.26 g/cm3
Flash Point: 256.7 °C
Appearance: Brown Solid
Enthalpy of Vaporization: 76.96 kJ/mol
Boiling Point: 500.9 °C at 760 mmHg
Vapour Pressure: 3.64E-10 mmHg at 25 °C
Product Categories of Aminophenylnorharmane (CAS NO.219959-86-1): Mutagenesis Research Chemicals
Canonical SMILES: C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)N)C=NC=C3
InChI: InChI=1S/C17H13N3/c18-12-5-7-13(8-6-12)20-16-4-2-1-3-14(16)15-9-10-19-11-17(15)20/h1-11H,18H2
InChIKey: CKJBUSARXRFUDR-UHFFFAOYSA-N

Uses

 Aminophenylnorharmane (CAS NO.219959-86-1) can be used as a mutagenic compound.

Toxicity Data With Reference

1.    

sce-ham-lng 0.005 mg/L/6H

     MUREAV    Mutation Research. 515 (2002),181.
2.    

cyt-ham-lng 0.00125 mg/L/6H

     MUREAV    Mutation Research. 515 (2002),181.
3.    

mic-sat 1 mg/L/20M

     MUREAV    Mutation Research. 515 (2002),181.
4.    

orl-rat TDLo:90 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 175 (2001),169.

Safety Profile

RadioactiveRA poison by ingestion. Questionable carcinogen with experimental neoplastigenic data reported. Mutation data reported. When heated to decomposition, Aminophenylnorharmane (CAS NO.219959-86-1) emits toxic vapors of NOx.

Specification

 Aminophenylnorharmane , its cas register number is 219959-86-1. It also can be called 4-(9H-Pyrido(3,4-b)indol-9-yl)benzenamine ; 9-(4'-Aminophenyl)-9H-pyrido[3,4-b]indole ; and Benzenamine, 4-(9H-pyrido(3,4-b)indol-9-yl)- .