ChemSpider 2D Image | Methyl N-(1-sulfamoyl-3-azetidinyl)-beta-alaninate | C7H15N3O4S

Methyl N-(1-sulfamoyl-3-azetidinyl)-β-alaninate

  • Molecular FormulaC7H15N3O4S
  • Average mass237.277 Da
  • Monoisotopic mass237.078323 Da
  • ChemSpider ID58598456

More details:

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

Methyl N-(1-sulfamoyl-3-azetidinyl)-β-alaninate [ACD/IUPAC Name]
Methyl-N-(1-sulfamoyl-3-azetidinyl)-β-alaninat [German] [ACD/IUPAC Name]
N-(1-Sulfamoyl-3-azétidinyl)-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[1-(aminosulfonyl)-3-azetidinyl]-, methyl ester [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: 415.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 205.0±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 54.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.40
ACD/LogD (pH 5.5): -3.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.75
Polar Surface Area: 110 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 167.9±5.0 cm3

Click to predict properties on the Chemicalize site


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