Molecule structure of N,N-Dimethyl-p-(4-methoxyphenylazo)aniline (CAS NO.3009-50-5):
IUPAC Name: 4-(4-Methoxyphenyl)diazenyl-N,N-dimethylaniline
Molecular Weight: 255.31498 g/mol
Molecular Formula: C15H17N3O
Density: 1.05 g/cm3
Boiling Point: 410.4 °C at 760 mmHg
Flash Point: 202 °C
Index of Refraction: 1.555
Molar Refractivity: 77.47 cm3
Molar Volume: 241.1 cm3
Polarizability: 30.71×10-24 cm3
Surface Tension: 36.8 dyne/cm
Enthalpy of Vaporization: 66.27 kJ/mol
Vapour Pressure: 6.06E-07 mmHg at 25 °C
XLogP3: 4.6
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Exact Mass: 255.137162
MonoIsotopic Mass: 255.137162
Topological Polar Surface Area: 37.2
Heavy Atom Count: 19
Complexity: 277
Canonical SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)OC
InChI: InChI=1S/C15H17N3O/c1-18(2)14-8-4-12(5-9-14)16-17-13-6-10-15(19-3)11-7-13/h4-11H,1-3H3
InChIKey of N,N-Dimethyl-p-(4-methoxyphenylazo)aniline (CAS NO.3009-50-5): OKVZACRWBMIIEM-UHFFFAOYSA-N
Questionable carcinogen with experimental neoplastigenic and tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
N,N-Dimethyl-p-(4-methoxyphenylazo)aniline (CAS NO.3009-50-5) is also named as 4'-Methoxy-4-dimethylaminoazobenzene ; 4-16-00-00497 (Beilstein Handbook Reference) ; BRN 0749612 ; CCRIS 8706 ; Aniline, N,N-dimethyl-p-(4-methoxyphenylazo)- .
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