ChemSpider 2D Image | 1-tert-butyl-4-chloro-1H-pyrazolo[3,4-d]pyrimidine | C9H11ClN4

1-tert-butyl-4-chloro-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC9H11ClN4
  • Average mass210.663 Da
  • Monoisotopic mass210.067230 Da
  • ChemSpider ID25919594

More details:

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

1100365-45-4 [RN]
1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1-(1,1-dimethylethyl)- [ACD/Index Name]
1-tert-butyl-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
4-Chlor-1-(2-methyl-2-propanyl)-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
4-Chloro-1-(2-methyl-2-propanyl)-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
4-Chloro-1-(2-méthyl-2-propanyl)-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
1-(t-Butyl)-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
1-(TERT-BUTYL)-4-CHLORO-1H-PYRAZOLO[3,4-D]PYRIMIDINE
1-tert-butyl-4-chloropyrazolo[3,4-d]pyrimidine
1-tert-Butyl-4-chloro-pyrazolo[3,4-d]pyrimidine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 311.5±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.0±3.0 kJ/mol
    Flash Point: 142.2±22.3 °C
    Index of Refraction: 1.639
    Molar Refractivity: 56.6±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.39
    ACD/LogD (pH 5.5): 1.78
    ACD/BCF (pH 5.5): 13.27
    ACD/KOC (pH 5.5): 221.44
    ACD/LogD (pH 7.4): 1.78
    ACD/BCF (pH 7.4): 13.27
    ACD/KOC (pH 7.4): 221.46
    Polar Surface Area: 44 Å2
    Polarizability: 22.4±0.5 10-24cm3
    Surface Tension: 44.6±7.0 dyne/cm
    Molar Volume: 157.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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