ChemSpider 2D Image | 1-Cyclohexyl-1H-benzotriazole-5-carbonitrile | C13H14N4

1-Cyclohexyl-1H-benzotriazole-5-carbonitrile

  • Molecular FormulaC13H14N4
  • Average mass226.277 Da
  • Monoisotopic mass226.121841 Da
  • ChemSpider ID30782796

More details:

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

1-Cyclohexyl-1H-benzotriazol-5-carbonitril [German] [ACD/IUPAC Name]
1-Cyclohexyl-1H-benzotriazole-5-carbonitrile [ACD/IUPAC Name]
1-Cyclohexyl-1H-benzotriazole-5-carbonitrile [French] [ACD/IUPAC Name]
1H-1,2,3-Benzotriazole-5-carbonitrile, 1-cyclohexyl- [ACD/Index Name]
[1393442-44-8] [RN]
1393442-44-8 [RN]
1-Cyclohexyl-1,2,3-benzotriazole-5-carbonitrile
IN-0410
MFCD22383712

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 437.9±18.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.5±3.0 kJ/mol
    Flash Point: 218.6±21.2 °C
    Index of Refraction: 1.697
    Molar Refractivity: 66.8±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.55
    ACD/LogD (pH 5.5): 2.66
    ACD/BCF (pH 5.5): 61.85
    ACD/KOC (pH 5.5): 666.61
    ACD/LogD (pH 7.4): 2.66
    ACD/BCF (pH 7.4): 61.85
    ACD/KOC (pH 7.4): 666.61
    Polar Surface Area: 55 Å2
    Polarizability: 26.5±0.5 10-24cm3
    Surface Tension: 55.3±7.0 dyne/cm
    Molar Volume: 173.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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