ChemSpider 2D Image | Ethyl 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanoate | C12H16N4O4

Ethyl 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanoate

  • Molecular FormulaC12H16N4O4
  • Average mass280.280 Da
  • Monoisotopic mass280.117157 Da
  • ChemSpider ID22752432

More details:

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

2-(1,3-Diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)propanoate d'éthyle [French] [ACD/IUPAC Name]
7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-α,1,3-trimethyl-2,6-dioxo-, ethyl ester [ACD/Index Name]
Ethyl 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanoate [ACD/IUPAC Name]
Ethyl-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanoat [German] [ACD/IUPAC Name]
17b
2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-propionic acid ethyl ester
51856-35-0 [RN]
ethyl 2-(1,3-dimethyl-2,6-dioxo-1,3,7-trihydropurin-7-yl)propanoate
ethyl 2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)propanoate
ethyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 470.8±51.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.3±3.0 kJ/mol
    Flash Point: 238.6±30.4 °C
    Index of Refraction: 1.624
    Molar Refractivity: 70.9±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.85
    ACD/LogD (pH 5.5): 0.90
    ACD/BCF (pH 5.5): 2.85
    ACD/KOC (pH 5.5): 73.59
    ACD/LogD (pH 7.4): 0.90
    ACD/BCF (pH 7.4): 2.85
    ACD/KOC (pH 7.4): 73.59
    Polar Surface Area: 85 Å2
    Polarizability: 28.1±0.5 10-24cm3
    Surface Tension: 50.9±7.0 dyne/cm
    Molar Volume: 200.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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