ChemSpider 2D Image | MFCD04018031 | C28H34N6O3

MFCD04018031

  • Molecular FormulaC28H34N6O3
  • Average mass502.608 Da
  • Monoisotopic mass502.269226 Da
  • ChemSpider ID2941646

More details:

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

1H-Purine-2,6-dione, 8-[[bis(phenylmethyl)amino]methyl]-3,7-dihydro-1,3-dimethyl-7-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-[2-(4-morpholinyl)ethyl]-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-[2-(4-morpholinyl)ethyl]-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[(Dibenzylamino)méthyl]-1,3-diméthyl-7-[2-(4-morpholinyl)éthyl]-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
MFCD04018031
573705-74-5 [RN]
8-((dibenzylamino)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione
8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
8-[(dibenzylamino)methyl]-1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8-[(dibenzylamino)methyl]-1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 677.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 99.4±3.0 kJ/mol
    Flash Point: 363.4±34.3 °C
    Index of Refraction: 1.645
    Molar Refractivity: 144.4±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 2.93
    ACD/LogD (pH 5.5): 1.50
    ACD/BCF (pH 5.5): 3.35
    ACD/KOC (pH 5.5): 28.77
    ACD/LogD (pH 7.4): 3.02
    ACD/BCF (pH 7.4): 110.60
    ACD/KOC (pH 7.4): 949.32
    Polar Surface Area: 74 Å2
    Polarizability: 57.2±0.5 10-24cm3
    Surface Tension: 51.6±7.0 dyne/cm
    Molar Volume: 398.1±7.0 cm3

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