ChemSpider 2D Image | 8-Amino-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione | C13H20N6O3

8-Amino-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione

  • Molecular FormulaC13H20N6O3
  • Average mass308.336 Da
  • Monoisotopic mass308.159698 Da
  • ChemSpider ID28611788

More details:

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

1370596-84-1 [RN]
1H-Purine-2,6-dione, 8-amino-3,7-dihydro-1,3-dimethyl-7-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
8-Amino-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione
8-Amino-1,3-dimethyl-7-[2-(4-morpholinyl)ethyl]-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-Amino-1,3-dimethyl-7-[2-(4-morpholinyl)ethyl]-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-Amino-1,3-diméthyl-7-[2-(4-morpholinyl)éthyl]-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
8-Amino-1,3-dimethyl-7-(2-morpholin-4-yl-ethyl)-3,7-dihydro-purine-2,6-dione
8-amino-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
AKOS015831301
MCULE-3709901899
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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: 556.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.8±3.0 kJ/mol
    Flash Point: 290.3±32.9 °C
    Index of Refraction: 1.710
    Molar Refractivity: 78.3±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.44
    ACD/LogD (pH 5.5): -1.30
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.34
    ACD/LogD (pH 7.4): -0.19
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 17.39
    Polar Surface Area: 97 Å2
    Polarizability: 31.0±0.5 10-24cm3
    Surface Tension: 65.9±7.0 dyne/cm
    Molar Volume: 200.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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