Molecule structure of N,N-Dimethyl-p-(4-benzimidazolylazo)aniline (CAS NO.18463-86-0):
IUPAC Name: 4-(1H-Benzimidazol-4-yldiazenyl)-N,N-dimethylaniline
Molecular Weight: 265.3131 g/mol
Molecular Formula: C15H15N5
Density: 1.22 g/cm3
Boiling Point: 547.7 °C at 760 mmHg
Flash Point: 285 °C
Index of Refraction: 1.659
Molar Refractivity: 79.82 cm3
Molar Volume: 216.4 cm3
Polarizability: 31.64×10-24 cm3
Surface Tension: 47.1 dyne/cm
Enthalpy of Vaporization: 82.71 kJ/mol
Vapour Pressure: 4.76E-12 mmHg at 25 °C
XLogP3-AA: 3.4
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 265.132746
MonoIsotopic Mass: 265.132746
Topological Polar Surface Area: 56.6
Heavy Atom Count: 20
Complexity: 335
Canonical SMILES: CN(C)C1=CC=C(C=C1)N=NC2=C3C(=CC=C2)NC=N3
InChI: InChI=1S/C15H15N5/c1-20(2)12-8-6-11(7-9-12)18-19-14-5-3-4-13-15(14)17-10-16-13/h3-10H,1-2H3,(H,16,17)
InChIKey of N,N-Dimethyl-p-(4-benzimidazolylazo)aniline (CAS NO.18463-86-0): RGXCMSOLAUCESL-UHFFFAOYSA-N
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
N,N-Dimethyl-p-(4-benzimidazolylazo)aniline (CAS NO.18463-86-0) is also named as 4-((p-(Dimethylamino)phenyl)azo)benzimidazole ; 4-25-00-04618 (Beilstein Handbook Reference) ; BRN 0023252 ; N,N-Dimethyl-4(4'-benzimidazolylazo)aniline ; Benzimidazole, 4-((p-(dimethylamino)phenyl)azo)- .
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