ChemSpider 2D Image | Methyl N-(2,5-dimethoxyphenyl)-N-(methylsulfonyl)alaninate | C13H19NO6S

Methyl N-(2,5-dimethoxyphenyl)-N-(methylsulfonyl)alaninate

  • Molecular FormulaC13H19NO6S
  • Average mass317.358 Da
  • Monoisotopic mass317.093292 Da
  • ChemSpider ID35227319

More details:

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

Alanine, N-(2,5-dimethoxyphenyl)-N-(methylsulfonyl)-, methyl ester [ACD/Index Name]
Methyl N-(2,5-dimethoxyphenyl)-N-(methylsulfonyl)alaninate [ACD/IUPAC Name]
Methyl-N-(2,5-dimethoxyphenyl)-N-(methylsulfonyl)alaninat [German] [ACD/IUPAC Name]
N-(2,5-Diméthoxyphényl)-N-(méthylsulfonyl)alaninate de méthyle [French] [ACD/IUPAC Name]
alanine, N-(2,5-dimethoxyphenyl)-N-(methylsulfonyl), methyl ester
methyl 2-(N-(2,5-dimethoxyphenyl)methylsulfonamido)propanoate
MFCD28954496

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 449.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.8±3.0 kJ/mol
    Flash Point: 225.8±31.5 °C
    Index of Refraction: 1.530
    Molar Refractivity: 77.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 0.89
    ACD/LogD (pH 5.5): 1.25
    ACD/BCF (pH 5.5): 5.28
    ACD/KOC (pH 5.5): 114.54
    ACD/LogD (pH 7.4): 1.25
    ACD/BCF (pH 7.4): 5.28
    ACD/KOC (pH 7.4): 114.54
    Polar Surface Area: 91 Å2
    Polarizability: 30.6±0.5 10-24cm3
    Surface Tension: 45.1±3.0 dyne/cm
    Molar Volume: 249.8±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement