ChemSpider 2D Image | N-Methyl-N-{[3-(methylsulfonyl)propyl]sulfamoyl}-beta-alanine | C8H18N2O6S2

N-Methyl-N-{[3-(methylsulfonyl)propyl]sulfamoyl}-β-alanine

  • Molecular FormulaC8H18N2O6S2
  • Average mass302.368 Da
  • Monoisotopic mass302.060638 Da
  • ChemSpider ID49006176

More details:

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

N-Methyl-N-{[3-(methylsulfonyl)propyl]sulfamoyl}-β-alanin [German] [ACD/IUPAC Name]
N-Methyl-N-{[3-(methylsulfonyl)propyl]sulfamoyl}-β-alanine [ACD/IUPAC Name]
N-Méthyl-N-{[3-(méthylsulfonyl)propyl]sulfamoyl}-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-methyl-N-[[[3-(methylsulfonyl)propyl]amino]sulfonyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 564.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.8±6.0 kJ/mol
Flash Point: 295.5±32.9 °C
Index of Refraction: 1.530
Molar Refractivity: 65.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -2.10
ACD/LogD (pH 5.5): -2.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 213.3±3.0 cm3

Click to predict properties on the Chemicalize site


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