ChemSpider 2D Image | Methyl N-methyl-N-{[2-(methylsulfonyl)ethyl]sulfamoyl}-beta-alaninate | C8H18N2O6S2

Methyl N-methyl-N-{[2-(methylsulfonyl)ethyl]sulfamoyl}-β-alaninate

  • Molecular FormulaC8H18N2O6S2
  • Average mass302.368 Da
  • Monoisotopic mass302.060638 Da
  • ChemSpider ID49005843

More details:






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

Methyl N-methyl-N-{[2-(methylsulfonyl)ethyl]sulfamoyl}-β-alaninate [ACD/IUPAC Name]
Methyl-N-methyl-N-{[2-(methylsulfonyl)ethyl]sulfamoyl}-β-alaninat [German] [ACD/IUPAC Name]
N-Méthyl-N-{[2-(méthylsulfonyl)éthyl]sulfamoyl}-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-methyl-N-[[[2-(methylsulfonyl)ethyl]amino]sulfonyl]-, methyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 498.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 255.5±31.5 °C
Index of Refraction: 1.507
Molar Refractivity: 66.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -1.77
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.10
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.10
Polar Surface Area: 127 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 222.2±3.0 cm3

Click to predict properties on the Chemicalize site






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