IUPAC Name: 3-methyl-4-(4-methylphenyl)diazenylaniline
Molecular Formula: C14H15N3
Molecular Weight: 225.289000 g/mol
Canonical SMILES: CC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N)C
InChI: InChI=1S/C14H15N3/c1-10-3-6-13(7-4-10)16-17-14-8-5-12(15)9-11(14)2/h3-9H,15H2,1-2H3
XLogP3-AA: 3.7
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 225.126597
MonoIsotopic Mass: 225.126597
Topological Polar Surface Area: 50.7
Heavy Atom Count: 17
Complexity: 256
Classification Code: Tumor data
Index of Refraction: 1.593
Molar Refractivity: 69.61 cm3
Molar Volume: 205.4 cm3
Polarizability: 27.59 10-24cm3
Surface Tension: 40 dyne/cm
Density: 1.09 g/cm3
Flash Point: 194.5 °C
Enthalpy of Vaporization: 64.86 kJ/mol
Boiling Point: 398 °C at 760 mmHg
Vapour Pressure of Benzenamine, 3-methyl-4-((4-methylphenyl)azo)- (9CI) (CAS NO.3963-79-9): 1.52E-06 mmHg at 25 °C
Questionable carcinogen with experimental carcinogenic data. When heated to decomposition Benzenamine, 3-methyl-4-((4-methylphenyl)azo)- (9CI) (CAS NO.3963-79-9) emits toxic fumes of NOx.
Benzenamine, 3-methyl-4-((4-methylphenyl)azo)- (9CI) (CAS NO.3963-79-9),its Synonyms are 4'-Amino-4-2'-azotoluene ; 4-(p-Tolylazo)-m-toluidine ; 4-16-00-00534 (Beilstein Handbook Reference) .
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