ChemSpider 2D Image | N-(Methylsulfamoyl)-beta-alanine | C4H10N2O4S

N-(Methylsulfamoyl)-β-alanine

  • Molecular FormulaC4H10N2O4S
  • Average mass182.198 Da
  • Monoisotopic mass182.036133 Da
  • ChemSpider ID26491227

More details:

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

N-(Methylsulfamoyl)-β-alanin [German] [ACD/IUPAC Name]
N-(Methylsulfamoyl)-β-alanine [ACD/IUPAC Name]
N-(Méthylsulfamoyl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(methylamino)sulfonyl]- [ACD/Index Name]
3-[(METHYLSULFAMOYL)AMINO]PROPANOIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point: 369.4±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.7±6.0 kJ/mol
Flash Point: 177.2±28.4 °C
Index of Refraction: 1.511
Molar Refractivity: 38.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.33
ACD/LogD (pH 5.5): -2.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 127.9±3.0 cm3

Click to predict properties on the Chemicalize site


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