ChemSpider 2D Image | Methyl N,N-bis(methylsulfonyl)-beta-alaninate | C6H13NO6S2

Methyl N,N-bis(methylsulfonyl)-β-alaninate

  • Molecular FormulaC6H13NO6S2
  • Average mass259.301 Da
  • Monoisotopic mass259.018433 Da
  • ChemSpider ID23498308

More details:

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

Methyl N,N-bis(methylsulfonyl)-β-alaninate [ACD/IUPAC Name]
Methyl-N,N-bis(methylsulfonyl)-β-alaninat [German] [ACD/IUPAC Name]
N,N-Bis(méthylsulfonyl)-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N,N-bis(methylsulfonyl)-, methyl ester [ACD/Index Name]
1207604-92-9 [RN]
METHYL 3-(N-METHANESULFONYLMETHANESULFONAMIDO)PROPANOATE
methyl 3-[bis(methylsulfonyl)amino]propanoate
MFCD15147618 [MDL number]
β-alanine, N,N-bis(methylsulfonyl), methyl ester

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 395.0±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.5±3.0 kJ/mol
    Flash Point: 192.7±28.4 °C
    Index of Refraction: 1.502
    Molar Refractivity: 53.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: -1.33
    ACD/LogD (pH 5.5): -0.92
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.51
    ACD/LogD (pH 7.4): -0.92
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 7.51
    Polar Surface Area: 115 Å2
    Polarizability: 21.1±0.5 10-24cm3
    Surface Tension: 53.4±3.0 dyne/cm
    Molar Volume: 180.4±3.0 cm3

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