ChemSpider 2D Image | 4-{(E)-[(4-Amino-3-pyridinyl)imino]methyl}benzonitrile | C13H10N4

4-{(E)-[(4-Amino-3-pyridinyl)imino]methyl}benzonitrile

  • Molecular FormulaC13H10N4
  • Average mass222.245 Da
  • Monoisotopic mass222.090546 Da
  • ChemSpider ID24741155

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{(E)-[(4-Amino-3-pyridinyl)imino]methyl}benzonitril [German] [ACD/IUPAC Name]
4-{(E)-[(4-Amino-3-pyridinyl)imino]methyl}benzonitrile [ACD/IUPAC Name]
4-{(E)-[(4-Amino-3-pyridinyl)imino]méthyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[(E)-[(4-amino-3-pyridinyl)imino]methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 502.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.4±28.7 °C
Index of Refraction: 1.635
Molar Refractivity: 67.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.43
ACD/KOC (pH 7.4): 29.90
Polar Surface Area: 75 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 187.9±7.0 cm3

Click to predict properties on the Chemicalize site


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