ChemSpider 2D Image | 6-(3,5-difluoroanilino)-9-ethyl-2-purinecarbonitrile | C14H10F2N6

6-(3,5-difluoroanilino)-9-ethyl-2-purinecarbonitrile

  • Molecular FormulaC14H10F2N6
  • Average mass300.266 Da
  • Monoisotopic mass300.093506 Da
  • ChemSpider ID24630771

More details:

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

1199523-24-4 [RN]
6-(3,5-difluoroanilino)-9-ethyl-2-purinecarbonitrile
6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile [ACD/IUPAC Name]
6-[(3,5-Difluorophényl)amino]-9-éthyl-9H-purine-2-carbonitrile [French] [ACD/IUPAC Name]
6-[(3,5-difluorophenyl)amino]-9-ethylpurine-2-carbonitrile
6-[(3,5-Difluorphenyl)amino]-9-ethyl-9H-purin-2-carbonitril [German] [ACD/IUPAC Name]
6-((3,5-difluorophenyl)amino)-9-ethyl-9H-purine-2-carbonitrile
6-(3,5-difluoroanilino)-9-ethylpurine-2-carbonitrile
9H-Purine-2-carbonitrile, 6-[(3,5-difluorophenyl)amino]-9-ethyl- [ACD/Index Name]
cruzain-in-1
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 504.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.4±3.0 kJ/mol
    Flash Point: 258.7±32.9 °C
    Index of Refraction: 1.680
    Molar Refractivity: 77.1±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.26
    ACD/LogD (pH 5.5): 1.88
    ACD/BCF (pH 5.5): 15.81
    ACD/KOC (pH 5.5): 251.12
    ACD/LogD (pH 7.4): 1.88
    ACD/BCF (pH 7.4): 15.81
    ACD/KOC (pH 7.4): 251.12
    Polar Surface Area: 79 Å2
    Polarizability: 30.5±0.5 10-24cm3
    Surface Tension: 50.6±7.0 dyne/cm
    Molar Volume: 203.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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