ChemSpider 2D Image | 3-(1H-Imidazol-1-ylmethyl)benzonitrile | C11H9N3

3-(1H-Imidazol-1-ylmethyl)benzonitrile

  • Molecular FormulaC11H9N3
  • Average mass183.209 Da
  • Monoisotopic mass183.079651 Da
  • ChemSpider ID21390963

More details:

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

143426-59-9 [RN]
3-((1H-imidazol-1-yl)methyl)benzonitrile
3-(1H-Imidazol-1-ylmethyl)benzonitril [German] [ACD/IUPAC Name]
3-(1H-Imidazol-1-ylmethyl)benzonitrile [ACD/IUPAC Name]
3-(1H-Imidazol-1-ylméthyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-(1H-imidazol-1-ylmethyl)- [ACD/Index Name]
"IMIDAZOLE,1-M-CYANOBENZYL"
1-(3-Cyanobenzyl)-1H-imidazole
1-(3-Cyanobenzyl)imidazole
3-(imidazol-1-ylmethyl)benzonitrile
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 386.1±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 187.3±20.9 °C
Index of Refraction: 1.609
Molar Refractivity: 57.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.03
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.35
ACD/KOC (pH 7.4): 95.86
Polar Surface Area: 42 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 164.9±7.0 cm3

Click to predict properties on the Chemicalize site


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