ChemSpider 2D Image | (5-Cyclohexyl-4-imino-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile | C19H20N6

(5-Cyclohexyl-4-imino-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile

  • Molecular FormulaC19H20N6
  • Average mass332.402 Da
  • Monoisotopic mass332.174957 Da
  • ChemSpider ID23080755

More details:

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

(5-Cyclohexyl-4-imino-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitril [German] [ACD/IUPAC Name]
(5-Cyclohexyl-4-imino-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile [ACD/IUPAC Name]
(5-Cyclohexyl-4-imino-1-phényl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl)acétonitrile [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidine-3-acetonitrile, 5-cyclohexyl-4,5-dihydro-4-imino-1-phenyl- [ACD/Index Name]
2-(5-cyclohexyl-4-imino-1-phenylpyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile
2-{5-cyclohexyl-4-imino-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-3-yl}acetonitrile
349571-75-1 [RN]
MFCD01413644

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 549.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.0±3.0 kJ/mol
    Flash Point: 286.4±32.9 °C
    Index of Refraction: 1.715
    Molar Refractivity: 97.8±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.54
    ACD/LogD (pH 5.5): 1.86
    ACD/BCF (pH 5.5): 14.90
    ACD/KOC (pH 5.5): 233.53
    ACD/LogD (pH 7.4): 1.91
    ACD/BCF (pH 7.4): 16.55
    ACD/KOC (pH 7.4): 259.38
    Polar Surface Area: 81 Å2
    Polarizability: 38.8±0.5 10-24cm3
    Surface Tension: 59.3±7.0 dyne/cm
    Molar Volume: 248.9±7.0 cm3

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