ChemSpider 2D Image | N-Methyl-N-(methylsulfonyl)-beta-alanine | C5H11NO4S

N-Methyl-N-(methylsulfonyl)-β-alanine

  • Molecular FormulaC5H11NO4S
  • Average mass181.210 Da
  • Monoisotopic mass181.040878 Da
  • ChemSpider ID23041463

More details:

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

3-(N-Methylmethylsulfonamido)propanoic acid
MFCD11934935 [MDL number]
N-Methyl-N-(methylsulfonyl)-β-alanin [German] [ACD/IUPAC Name]
N-Methyl-N-(methylsulfonyl)-β-alanine [ACD/IUPAC Name]
N-Méthyl-N-(méthylsulfonyl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-methyl-N-(methylsulfonyl)- [ACD/Index Name]
[1158736-03-8] [RN]
1158736-03-8 [RN]
3-(Methanesulfonylmethylamino)propanoic acid
3-(Methanesulfonyl-methyl-amino)-propanoic acid
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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: 340.8±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 64.2±6.0 kJ/mol
    Flash Point: 159.9±28.4 °C
    Index of Refraction: 1.502
    Molar Refractivity: 39.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.37
    ACD/LogD (pH 5.5): -1.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.51
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 83 Å2
    Polarizability: 15.7±0.5 10-24cm3
    Surface Tension: 53.1±3.0 dyne/cm
    Molar Volume: 134.0±3.0 cm3

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