Molecule structure of N,N-Dimethyl-p-(3,4-xylylazo)aniline (CAS NO.3025-73-8):
IUPAC Name: 4-(3,4-Dimethylphenyl)diazenyl-N,N-dimethylaniline
Molecular Weight: 253.34216 g/mol
Molecular Formula: C16H19N3
Density: 1.01 g/cm3
Boiling Point: 406.9 °C at 760 mmHg
Flash Point: 199.9 °C
Index of Refraction: 1.557
Molar Refractivity: 80.5 cm3
Molar Volume: 249.9 cm3
Polarizability: 31.91×10-24 cm3
Surface Tension: 34.5 dyne/cm
Enthalpy of Vaporization: 65.87 kJ/mol
Vapour Pressure: 7.88E-07 mmHg at 25 °C
XLogP3-AA: 4.6
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 253.157898
MonoIsotopic Mass: 253.157898
Topological Polar Surface Area: 28
Heavy Atom Count: 19
Complexity: 292
Canonical SMILES: CC1=C(C=C(C=C1)N=NC2=CC=C(C=C2)N(C)C)C
InChI: InChI=1S/C16H19N3/c1-12-5-6-15(11-13(12)2)18-17-14-7-9-16(10-8-14)19(3)4/h5-11H,1-4H3
InChIKey of N,N-Dimethyl-p-(3,4-xylylazo)aniline (CAS NO.3025-73-8): ILUWGGAOQJAFCM-UHFFFAOYSA-N
Questionable carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
N,N-Dimethyl-p-(3,4-xylylazo)aniline (CAS NO.3025-73-8) is also named as 3',4'-Dimethyl-4-dimethylaminoazobenzene ; 4-16-00-00489 (Beilstein Handbook Reference) ; Aniline, N,N-dimethyl-p-(3',4'-dimethylphenylazo)- ; BRN 0654143 ; Aniline, N,N-dimethyl-p-(3,4-xylylazo)- .
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