ChemSpider 2D Image | 3,7-Dimethyl-1-(~14~C)methyl-3,7-dihydro-1H-purine-2,6-dione | C714CH10N4O2


  • Molecular FormulaC714CH10N4O2
  • Average mass196.183 Da
  • Monoisotopic mass196.083618 Da
  • ChemSpider ID57712
  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(methyl-14C)- [ACD/Index Name]
3,7-Dimethyl-1-(14C)methyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
3,7-Dimethyl-1-(14C)methyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
3,7-Diméthyl-1-(14C)méthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(methyl-14C)-
77196-81-7 [RN]
caffeine, [1-methyl-14c]-

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.679
    Molar Refractivity: 50.4±0.5 cm3
    #H bond acceptors:
    #H bond donors:
    #Freely Rotating Bonds:
    #Rule of 5 Violations:
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area:
    Polarizability: 20.0±0.5 10-24cm3
    Surface Tension: 55.8±7.0 dyne/cm
    Molar Volume: 133.4±7.0 cm3

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