ChemSpider 2D Image | 2-[2-Amino-4-(methylsulfonyl)phenyl]butanoic acid | C11H15NO4S

2-[2-Amino-4-(methylsulfonyl)phenyl]butanoic acid

  • Molecular FormulaC11H15NO4S
  • Average mass257.306 Da
  • Monoisotopic mass257.072174 Da
  • ChemSpider ID98604245

More details:

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

2-[2-Amino-4-(methylsulfonyl)phenyl]butanoic acid [ACD/IUPAC Name]
2-[2-Amino-4-(methylsulfonyl)phenyl]butansäure [German] [ACD/IUPAC Name]
Acide 2-[2-amino-4-(méthylsulfonyl)phényl]butanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-amino-α-ethyl-4-(methylsulfonyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 516.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 266.0±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 64.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 194.7±3.0 cm3

Click to predict properties on the Chemicalize site


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