ChemSpider 2D Image | 6-Chloro-1-cyclohexyl-1H-pyrazolo[3,4-d]pyrimidine | C11H13ClN4

6-Chloro-1-cyclohexyl-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC11H13ClN4
  • Average mass236.701 Da
  • Monoisotopic mass236.082870 Da
  • ChemSpider ID35490658

More details:

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

1443287-89-5 [RN]
1H-Pyrazolo[3,4-d]pyrimidine, 6-chloro-1-cyclohexyl- [ACD/Index Name]
6-Chlor-1-cyclohexyl-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
6-Chloro-1-cyclohexyl-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
6-Chloro-1-cyclohexyl-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
6-chloro-1-cyclohexylpyrazolo[3,4-d]pyrimidine
MFCD25368374

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 359.6±24.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.1±3.0 kJ/mol
    Flash Point: 171.3±22.9 °C
    Index of Refraction: 1.731
    Molar Refractivity: 63.3±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.69
    ACD/LogD (pH 5.5): 2.51
    ACD/BCF (pH 5.5): 47.68
    ACD/KOC (pH 5.5): 553.26
    ACD/LogD (pH 7.4): 2.51
    ACD/BCF (pH 7.4): 47.69
    ACD/KOC (pH 7.4): 553.39
    Polar Surface Area: 44 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 57.9±7.0 dyne/cm
    Molar Volume: 158.4±7.0 cm3

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