ChemSpider 2D Image | 3-[(2-Methyl-1,2,4-triazolidin-3-yl)sulfamoyl]propanoic acid | C6H14N4O4S

3-[(2-Methyl-1,2,4-triazolidin-3-yl)sulfamoyl]propanoic acid

  • Molecular FormulaC6H14N4O4S
  • Average mass238.265 Da
  • Monoisotopic mass238.073578 Da
  • ChemSpider ID111831098

More details:

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

3-[(2-Methyl-1,2,4-triazolidin-3-yl)sulfamoyl]propanoic acid [ACD/IUPAC Name]
3-[(2-Methyl-1,2,4-triazolidin-3-yl)sulfamoyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(2-méthyl-1,2,4-triazolidin-3-yl)sulfamoyl]propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[(2-methyl-1,2,4-triazolidin-3-yl)amino]sulfonyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 470.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.3±6.0 kJ/mol
Flash Point: 238.3±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 53.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.87
ACD/LogD (pH 5.5): -4.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 72.9±5.0 dyne/cm
Molar Volume: 154.5±5.0 cm3

Click to predict properties on the Chemicalize site


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