Molecule structure of N-Benzoyloxy-4'-ethyl-N-methyl-4-aminoazobenzene (CAS NO.55398-26-0):
IUPAC Name: [4-(4-Ethylphenyl)diazenyl-N-methylanilino] benzoate
Molecular Weight: 359.42104 g/mol
Molecular Formula: C22H21N3O2
Density: 1.11 g/cm3
Boiling Point: 512.7 °C at 760 mmHg
Flash Point: 263.9 °C
Index of Refraction: 1.584
Molar Refractivity: 108.22 cm3
Molar Volume: 323.3 cm3
Polarizability: 42.9×10-24 cm3
Surface Tension: 41.9 dyne/cm
Enthalpy of Vaporization: 78.4 kJ/mol
Vapour Pressure: 1.26E-10 mmHg at 25 °C
XLogP3-AA: 6.4
H-Bond Acceptor: 5
Rotatable Bond Count: 7
Exact Mass: 359.163377
MonoIsotopic Mass: 359.163377
Topological Polar Surface Area: 54.3
Heavy Atom Count: 27
Complexity: 474
Canonical SMILES: CCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C22H21N3O2/c1-3-17-9-11-19(12-10-17)23-24-20-13-15-21(16-14-20)25(2)27-22(26)18-7-5-4-6-8-18/h4-16H,3H2,1-2H3
InChIKey of N-Benzoyloxy-4'-ethyl-N-methyl-4-aminoazobenzene (CAS NO.55398-26-0): XTSKKCRWIVURCS-UHFFFAOYSA-N
Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes such as NOx.
N-Benzoyloxy-4'-ethyl-N-methyl-4-aminoazobenzene (CAS NO.55398-26-0) is also named as Benzoic acid, ester with N-(p-(p-ethylphenylazo)phenyl)-N-methylhydroxylamine .
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