ChemSpider 2D Image | 3-[({2-[2-(1H-Imidazol-1-yl)-4-pyrimidinyl]ethyl}amino)methyl]benzonitrile | C17H16N6

3-[({2-[2-(1H-Imidazol-1-yl)-4-pyrimidinyl]ethyl}amino)methyl]benzonitrile

  • Molecular FormulaC17H16N6
  • Average mass304.349 Da
  • Monoisotopic mass304.143646 Da
  • ChemSpider ID35034179

More details:

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

3-[({2-[2-(1H-Imidazol-1-yl)-4-pyrimidinyl]ethyl}amino)methyl]benzonitril [German] [ACD/IUPAC Name]
3-[({2-[2-(1H-Imidazol-1-yl)-4-pyrimidinyl]ethyl}amino)methyl]benzonitrile [ACD/IUPAC Name]
3-[({2-[2-(1H-Imidazol-1-yl)-4-pyrimidinyl]éthyl}amino)méthyl]benzonitrile [French] [ACD/IUPAC Name]
3-[({2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}amino)methyl]benzonitrile
Benzonitrile, 3-[[[2-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]ethyl]amino]methyl]- [ACD/Index Name]
OLW

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.2±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.5±32.3 °C
Index of Refraction: 1.661
Molar Refractivity: 91.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 35.05
Polar Surface Area: 79 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 247.1±7.0 cm3

Click to predict properties on the Chemicalize site


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