ChemSpider 2D Image | 3-(Dimethylsulfamoyl)propanoic acid | C5H11NO4S

3-(Dimethylsulfamoyl)propanoic acid

  • Molecular FormulaC5H11NO4S
  • Average mass181.210 Da
  • Monoisotopic mass181.040878 Da
  • ChemSpider ID25620254

More details:

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

3-(Dimethylsulfamoyl)propanoic acid [ACD/IUPAC Name]
3-(Dimethylsulfamoyl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(diméthylsulfamoyl)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[(dimethylamino)sulfonyl]- [ACD/Index Name]
3-(dimethylsulfamoyl)propanoicacid
3-(N,N-Dimethylsulfamoyl)propanoic acid
933735-41-2 [RN]
MFCD11169120 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 337.1±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 63.8±6.0 kJ/mol
    Flash Point: 157.6±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): -1.86
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.61
    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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