ChemSpider 2D Image | N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-9-methylpurin-6-amine | C17H16ClN7

N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-9-methylpurin-6-amine

  • Molecular FormulaC17H16ClN7
  • Average mass353.809 Da
  • Monoisotopic mass353.115570 Da
  • ChemSpider ID32739478

More details:

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

1063331-94-1 [RN]
9H-Purin-6-amine, N-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-methyl- [ACD/Index Name]
N-(4-Chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-methyl-9H-purin-6-amine [ACD/IUPAC Name]
N-(4-Chlorophényl)-2-(3,5-diméthyl-1H-pyrazol-1-yl)-9-méthyl-9H-purin-6-amine [French] [ACD/IUPAC Name]
N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-9-methylpurin-6-amine
N-(4-Chlorphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-methyl-9H-purin-6-amin [German] [ACD/IUPAC Name]
C17H16ClN7
MFCD26097265
ns13001

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 628.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.0±3.0 kJ/mol
    Flash Point: 333.8±34.3 °C
    Index of Refraction: 1.735
    Molar Refractivity: 97.9±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.77
    ACD/LogD (pH 5.5): 3.56
    ACD/BCF (pH 5.5): 297.21
    ACD/KOC (pH 5.5): 2050.31
    ACD/LogD (pH 7.4): 3.56
    ACD/BCF (pH 7.4): 297.21
    ACD/KOC (pH 7.4): 2050.34
    Polar Surface Area: 73 Å2
    Polarizability: 38.8±0.5 10-24cm3
    Surface Tension: 55.1±7.0 dyne/cm
    Molar Volume: 244.0±7.0 cm3

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