ChemSpider 2D Image | 6-Chloro-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidine | C8H9ClN4

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

  • Molecular FormulaC8H9ClN4
  • Average mass196.637 Da
  • Monoisotopic mass196.051575 Da
  • ChemSpider ID35490656

More details:

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

1443289-75-5 [RN]
1H-Pyrazolo[3,4-d]pyrimidine, 6-chloro-1-(1-methylethyl)- [ACD/Index Name]
6-Chlor-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
6-Chloro-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
6-Chloro-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
6-chloro-1-isopropyl-pyrazolo[3,4-d]pyrimidine
6-chloro-1-propan-2-ylpyrazolo[3,4-d]pyrimidine
atoms 13 bonds 14
MFCD25368372

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 273.7±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.1±3.0 kJ/mol
    Flash Point: 119.4±22.3 °C
    Index of Refraction: 1.679
    Molar Refractivity: 51.7±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.51
    ACD/LogD (pH 5.5): 1.03
    ACD/BCF (pH 5.5): 3.58
    ACD/KOC (pH 5.5): 86.67
    ACD/LogD (pH 7.4): 1.03
    ACD/BCF (pH 7.4): 3.58
    ACD/KOC (pH 7.4): 86.68
    Polar Surface Area: 44 Å2
    Polarizability: 20.5±0.5 10-24cm3
    Surface Tension: 48.4±7.0 dyne/cm
    Molar Volume: 136.8±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement