ChemSpider 2D Image | Methyl 2-amino(2,3,3,4,4-~2~H_5_)butanoate | C5H6D5NO2

Methyl 2-amino(2,3,3,4,4-2H5)butanoate

  • Molecular FormulaC5H6D5NO2
  • Average mass122.177 Da
  • Monoisotopic mass122.110359 Da
  • ChemSpider ID73991941

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Amino(2,3,3,4,4-2H5)butanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic-2,3,3,4,4-d5 acid, 2-amino-, methyl ester [ACD/Index Name]
Methyl 2-amino(2,3,3,4,4-2H5)butanoate [ACD/IUPAC Name]
Methyl-2-amino(2,3,3,4,4-2H5)butanoat [German] [ACD/IUPAC Name]
1346747-57-6 [RN]
l-2-aminobutanoate methyl ester-d5

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 127.8±13.0 °C at 760 mmHg
    Vapour Pressure: 11.0±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 36.6±3.0 kJ/mol
    Flash Point: 3.5±17.4 °C
    Index of Refraction: 1.427
    Molar Refractivity: 30.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.05
    ACD/LogD (pH 5.5): -2.18
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.48
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 6.88
    Polar Surface Area: 52 Å2
    Polarizability: 12.1±0.5 10-24cm3
    Surface Tension: 32.1±3.0 dyne/cm
    Molar Volume: 118.6±3.0 cm3

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