ChemSpider 2D Image | (2E)-2-Amino-3-[(E)-(4-methoxybenzylidene)amino]-2-butenedinitrile | C12H10N4O

(2E)-2-Amino-3-[(E)-(4-methoxybenzylidene)amino]-2-butenedinitrile

  • Molecular FormulaC12H10N4O
  • Average mass226.234 Da
  • Monoisotopic mass226.085464 Da
  • ChemSpider ID15752492

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-2-Amino-3-[(E)-(4-methoxybenzyliden)amino]-2-butendinitril [German] [ACD/IUPAC Name]
(2E)-2-Amino-3-[(E)-(4-methoxybenzylidene)amino]-2-butenedinitrile [ACD/IUPAC Name]
(2E)-2-Amino-3-[(E)-(4-méthoxybenzylidène)amino]-2-butènedinitrile [French] [ACD/IUPAC Name]
2-Butenedinitrile, 2-amino-3-[[(1E)-(4-methoxyphenyl)methylene]amino]-, (2E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 428.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 212.8±28.7 °C
Index of Refraction: 1.574
Molar Refractivity: 65.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.76
ACD/KOC (pH 5.5): 150.68
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.80
ACD/KOC (pH 7.4): 151.45
Polar Surface Area: 95 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 198.0±7.0 cm3

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