ChemSpider 2D Image | 1,3-Dimethyl-7-(~2~H_3_)methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione | C8H7D3N4O3

1,3-Dimethyl-7-(2H3)methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione

  • Molecular FormulaC8H7D3N4O3
  • Average mass213.208 Da
  • Monoisotopic mass213.094116 Da
  • ChemSpider ID23937345

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Dimethyl-7-(2H3)methyl-7,9-dihydro-1H-purin-2,6,8(3H)-trion [German] [ACD/IUPAC Name]
1,3-Dimethyl-7-(2H3)methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione [ACD/IUPAC Name]
1,3-Diméthyl-7-(2H3)méthyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione [French] [ACD/IUPAC Name]
1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3-dimethyl-7-(methyl-d3)- [ACD/Index Name]
1,3,7-Trimethyluric Acid-d3
1,3-dimethyl-7-(trideuteriomethyl)-9H-purine-2,6,8-trione
188297-95-2 [RN]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 476.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.9±3.0 kJ/mol
    Flash Point: 242.1±31.5 °C
    Index of Refraction: 1.713
    Molar Refractivity: 51.2±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.18
    ACD/LogD (pH 5.5): 0.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 30.79
    ACD/LogD (pH 7.4): -0.24
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 10.72
    Polar Surface Area: 79 Å2
    Polarizability: 20.3±0.5 10-24cm3
    Surface Tension: 64.3±7.0 dyne/cm
    Molar Volume: 130.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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