ChemSpider 2D Image | ASISCHEM C63628 | C9H11N3O3

ASISCHEM C63628

  • Molecular FormulaC9H11N3O3
  • Average mass209.202 Da
  • Monoisotopic mass209.080048 Da
  • ChemSpider ID21612814

More details:

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

915920-21-7 [RN]
ASISCHEM C63628
ethyl 2-[(5-formylpyrimidin-2-yl)amino]acetate
Ethyl N-(5-formyl-2-pyrimidinyl)glycinate [ACD/IUPAC Name]
ethyl N-(5-formylpyrimidin-2-yl)glycinate
Ethyl-N-(5-formyl-2-pyrimidinyl)glycinat [German] [ACD/IUPAC Name]
Glycine, N-(5-formyl-2-pyrimidinyl)-, ethyl ester [ACD/Index Name]
N-(5-Formyl-2-pyrimidinyl)glycinate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-((5-formylpyrimidin-2-yl)amino)acetate
MFCD08752995 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 385.7±48.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.5±3.0 kJ/mol
    Flash Point: 187.1±29.6 °C
    Index of Refraction: 1.596
    Molar Refractivity: 54.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.27
    ACD/LogD (pH 5.5): 0.56
    ACD/BCF (pH 5.5): 1.56
    ACD/KOC (pH 5.5): 47.80
    ACD/LogD (pH 7.4): 0.56
    ACD/BCF (pH 7.4): 1.56
    ACD/KOC (pH 7.4): 47.81
    Polar Surface Area: 81 Å2
    Polarizability: 21.6±0.5 10-24cm3
    Surface Tension: 59.1±3.0 dyne/cm
    Molar Volume: 160.0±3.0 cm3

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