ChemSpider 2D Image | 4-(1-Pyrrolidinylsulfonyl)butanoic acid | C8H15NO4S

4-(1-Pyrrolidinylsulfonyl)butanoic acid

  • Molecular FormulaC8H15NO4S
  • Average mass221.274 Da
  • Monoisotopic mass221.072174 Da
  • ChemSpider ID21785190

More details:

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

4-(1-Pyrrolidinylsulfonyl)butanoic acid [ACD/IUPAC Name]
4-(1-Pyrrolidinylsulfonyl)butansäure [German] [ACD/IUPAC Name]
Acide 4-(1-pyrrolidinylsulfonyl)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-(1-pyrrolidinylsulfonyl)- [ACD/Index Name]
1018283-85-6 [RN]
4-(pyrrolidine-1-sulfonyl)butanoic acid
4-(Pyrrolidine-1-sulfonyl)-butyric acid
MFCD10012310 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 417.6±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.6±6.0 kJ/mol
Flash Point: 206.4±29.3 °C
Index of Refraction: 1.541
Molar Refractivity: 51.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.70
ACD/LogD (pH 7.4): -2.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 163.5±5.0 cm3

Click to predict properties on the Chemicalize site


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