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86836-00-2

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Basic Information
CAS No.: 86836-00-2
Name: Disperse Blue 165:1
Molecular Structure:
Molecular Structure of 86836-00-2 (Disperse Blue 165:1)
Formula: C19H19N7O5
Molecular Weight: 425.3981
Synonyms: N-[2-(2-cyano-4,6-dinitro-phenyl)diazenyl-5-diethylamino-phenyl]acetamide;24170-60-3;Acetamide, N-(2-((2-cyano-4,6-dinitrophenyl)azo)-5-(diethylamino)phenyl)-;Acetanilide, 2-((2-cyano-4,6-dinitrophenyl)azo)-5-(diethylamino)-;107809-77-8;N-(2-((2-Cyano-4,6-dinitrophenyl)azo)-5-(diethylamino)phenyl)acetamide;DISPERSE BLUE165:1;
EINECS: 246-058-2
Density: 1.37g/cm3
Boiling Point: 698.9 °C at 760mmHg
Flash Point: 376.5 °C
PSA: 175.98000
LogP: 6.29058
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Chemistry

Molecule structure of Acetanilide, 2-((2,4-dinitro-6-cyanophenyl)azo)-5-diethylamino (CAS NO.86836-00-2):

IUPAC Name: N-[2-(2-Cyano-4,6-dinitrophenyl)diazenyl-5-(diethylamino)phenyl]acetamide 
Molecular Weight: 425.39806 g/mol
Molecular Formula: C19H19N7O5 
Density: 1.37 g/cm3 
Boiling Point: 698.9 °C at 760 mmHg
Flash Point: 376.5 °C
Index of Refraction: 1.644
Molar Refractivity: 111.66 cm3
Molar Volume: 308.2 cm3
Surface Tension: 58.5 dyne/cm 
Enthalpy of Vaporization: 102.33 kJ/mol 
Vapour Pressure: 2.2E-19 mmHg at 25 °C
XLogP3-AA: 3.1
H-Bond Donor: 1
H-Bond Acceptor: 9
Rotatable Bond Count: 6
Tautomer Count: 4
Exact Mass: 425.144767
MonoIsotopic Mass: 425.144767
Topological Polar Surface Area: 167
Heavy Atom Count: 31
Canonical SMILES: CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C
InChI: InChI=1S/C19H19N7O5/c1-4-24(5-2)14-6-7-16(17(9-14)21-12(3)27)22-23-19-13(11-20)8-15(25(28)29)10-18(19)26(30)31/h6-10H,4-5H2,1-3H3,(H,21,27)
InChIKey: NHBNDXGKNAEBAI-UHFFFAOYSA-N
EINECS: 246-058-2
Product Categories: Organics

Specification

 Acetanilide, 2-((2,4-dinitro-6-cyanophenyl)azo)-5-diethylamino (CAS NO.86836-00-2) is also named as Acetanilide, 2'-((2-cyano-4,6-dinitrophenyl)azo)-5'-(diethylamino)- ; Acetamide, N-(2-((2-cyano-4,6-dinitrophenyl)azo)-5-(diethylamino)phenyl)- ; Acetamide, N-(2-(2-(2-cyano-4,6-dinitrophenyl)diazenyl)-5-(diethylamino)phenyl)- ; N-(2-((2-Cyano-4,6-dinitrophenyl)azo)-5-(diethylamino)phenyl)acetamide ; 24170-60-3 .