ChemSpider 2D Image | N-[Butyl(methyl)sulfamoyl]-beta-alanine | C8H18N2O4S

N-[Butyl(methyl)sulfamoyl]-β-alanine

  • Molecular FormulaC8H18N2O4S
  • Average mass238.305 Da
  • Monoisotopic mass238.098724 Da
  • ChemSpider ID30141544

More details:

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

N-[Butyl(methyl)sulfamoyl]-β-alanin [German] [ACD/IUPAC Name]
N-[Butyl(methyl)sulfamoyl]-β-alanine [ACD/IUPAC Name]
N-[Butyl(méthyl)sulfamoyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(butylmethylamino)sulfonyl]- [ACD/Index Name]
1098394-80-9 [RN]
MFCD11647627

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

Density: 1.2±0.1 g/cm3
Boiling Point: 389.2±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.1±6.0 kJ/mol
Flash Point: 189.2±28.4 °C
Index of Refraction: 1.505
Molar Refractivity: 57.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.85
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 192.3±3.0 cm3

Click to predict properties on the Chemicalize site


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