ChemSpider 2D Image | Paraxanthine-1-methyl-d3 | C7H5D3N4O2

Paraxanthine-1-methyl-d3

  • Molecular FormulaC7H5D3N4O2
  • Average mass183.182 Da
  • Monoisotopic mass183.083557 Da
  • ChemSpider ID32819158

  • Non-standard isotope - Non-standard isotope

More details:

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

188297-90-7 [RN]
1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-7-(methyl-d3)- [ACD/Index Name]
1-Methyl-7-(2H3)methyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1-Methyl-7-(2H3)methyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1-Méthyl-7-(2H3)méthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
Paraxanthine-1-methyl-d3
1-methyl-7-(trideuteriomethyl)-3H-purine-2,6-dione
611-59-6 [RN]
65566-70-3 [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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.737
    Molar Refractivity: 45.1±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -1.57
    ACD/LogD (pH 5.5): -0.35
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 15.29
    ACD/LogD (pH 7.4): -0.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 14.19
    Polar Surface Area: 67 Å2
    Polarizability: 17.9±0.5 10-24cm3
    Surface Tension: 65.8±7.0 dyne/cm
    Molar Volume: 112.1±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement