ChemSpider 2D Image | N-(3-Cyanophenyl)-2,5-dimethylpyrrole | C13H12N2

N-(3-Cyanophenyl)-2,5-dimethylpyrrole

  • Molecular FormulaC13H12N2
  • Average mass196.248 Da
  • Monoisotopic mass196.100052 Da
  • ChemSpider ID21634242

More details:

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

204142-42-7 [RN]
3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzonitril [German] [ACD/IUPAC Name]
3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzonitrile [ACD/IUPAC Name]
3-(2,5-Diméthyl-1H-pyrrol-1-yl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-(2,5-dimethyl-1H-pyrrol-1-yl)- [ACD/Index Name]
N-(3-Cyanophenyl)-2,5-dimethylpyrrole
[204142-42-7] [RN]
3-(2,5-dimethylpyrrol-1-yl)benzonitrile
3-(2,5-Dimethyl-pyrrol-1-yl)-benzonitrile
3-(2,5-dimethylpyrrolyl)benzenecarbonitrile
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 340.3±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.4±3.0 kJ/mol
    Flash Point: 159.6±24.6 °C
    Index of Refraction: 1.573
    Molar Refractivity: 62.9±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.44
    ACD/LogD (pH 5.5): 3.17
    ACD/BCF (pH 5.5): 151.47
    ACD/KOC (pH 5.5): 1265.56
    ACD/LogD (pH 7.4): 3.17
    ACD/BCF (pH 7.4): 151.47
    ACD/KOC (pH 7.4): 1265.56
    Polar Surface Area: 29 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 37.9±7.0 dyne/cm
    Molar Volume: 190.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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