ChemSpider 2D Image | 8-(Chloromethyl)-3-methyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione | C15H13ClN4O3

8-(Chloromethyl)-3-methyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC15H13ClN4O3
  • Average mass332.742 Da
  • Monoisotopic mass332.067627 Da
  • ChemSpider ID23368774

More details:

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

1H-Purine-2,6-dione, 8-(chloromethyl)-3,7-dihydro-3-methyl-7-(2-oxo-2-phenylethyl)- [ACD/Index Name]
8-(Chlormethyl)-3-methyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-(Chloromethyl)-3-methyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-(Chlorométhyl)-3-méthyl-7-(2-oxo-2-phényléthyl)-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1170005-16-9 [RN]
8-(chloromethyl)-2-hydroxy-3-methyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-6H-purin-6-one
8-(chloromethyl)-3-methyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione
8-(chloromethyl)-3-methyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8-(chloromethyl)-3-methyl-7-phenacylpurine-2,6-dione
8-Chloromethyl-2-hydroxy-3-methyl-7-(2-oxo-2-phenyl-ethyl)-3,7-dihydro-purin-6-one
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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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.701
    Molar Refractivity: 85.0±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.13
    ACD/LogD (pH 5.5): 1.08
    ACD/BCF (pH 5.5): 3.91
    ACD/KOC (pH 5.5): 92.36
    ACD/LogD (pH 7.4): 1.08
    ACD/BCF (pH 7.4): 3.87
    ACD/KOC (pH 7.4): 91.41
    Polar Surface Area: 84 Å2
    Polarizability: 33.7±0.5 10-24cm3
    Surface Tension: 61.3±7.0 dyne/cm
    Molar Volume: 219.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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