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Basic Information
CAS No.: 63041-30-5
Name: 7-Aminodibenz[a,h]anthracene
Molecular Structure:
Molecular Structure of 63041-30-5 (7-Aminodibenz[a,h]anthracene)
Formula: C22H15N
Molecular Weight: 293.38
Synonyms: 9-Amino-1,2,5,6-dibenzanthracene;DIBENZ(a,h)ANTHRACENE,7-AMINO;
Density: 1.285g/cm3
Boiling Point: 579°Cat760mmHg
Flash Point: 338.5°C
Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
PSA: 26.02000
LogP: 6.46280
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Chemistry

Molecular Formula: C22H15N
Molecular Weight: 293.361200 g/mol
The Molecular Structure of  9-Amino-1,2,5,6-dibenzanthracene (CAS NO.63041-30-5):
IUPAC: naphtho[1,2-b]phenanthren-7-amine 
Density: 1.285 g/cm3
Flash Point: 338.5 °C
Enthalpy of Vaporization: 86.63 kJ/mol
Boiling Point: 579 °C at 760 mmHg
Vapour Pressure: 2.12E-13 mmHg at 25°C 
Polar Surface Area: 3.24Å2
Index of Refraction: 1.849
Molar Refractivity: 101.85 cm3
Molar Volume: 228.1 cm3
Surface Tension: 65.2 dyne/cm
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.85
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 5.5): 16262.77
ACD/BCF (pH 7.4): 16700.42
ACD/KOC (pH 5.5): 35697.68
ACD/KOC (pH 7.4): 36658.34 
InChI=1/C22H15N/c23-22-19-12-11-14-5-1-3-7-17(14)20(19)13-16-10-9-15-6-2-4-8-18(15)21(16)22/h1-13H,23H2
Smiles: c12c(c(c3c4c(cccc4)ccc3c2)N)ccc2c1cccc2
Classification Code:Tumor data

Toxicity Data With Reference

1.    

skn-mus TDLo:1250 mg/kg/52W-I:ETA

     PRLBA4    Proceedings of the Royal Society of London, Series B, Biological Sciences. 117 (1935),318.

Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.

Specification

 9-Amino-1,2,5,6-dibenzanthracene (CAS NO.63041-30-5) is also called as 3-07-00-02902 (Beilstein Handbook Reference) ; BRN 3355287 ; Dibenz(a,h)anthracene, 7-amino- .