ChemSpider 2D Image | Ethyl (3S)-1-benzyl-3-pyrrolidinecarboxylate | C14H19NO2

Ethyl (3S)-1-benzyl-3-pyrrolidinecarboxylate

  • Molecular FormulaC14H19NO2
  • Average mass233.306 Da
  • Monoisotopic mass233.141586 Da
  • ChemSpider ID32809943

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-Benzyl-3-pyrrolidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-(phenylmethyl)-, ethyl ester, (3S)- [ACD/Index Name]
Ethyl (3S)-1-benzyl-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
Ethyl-(3S)-1-benzyl-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
351370-96-2 [RN]
ethyl (3S)-1-benzylpyrrolidine-3-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 308.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.0±3.0 kJ/mol
Flash Point: 107.4±16.8 °C
Index of Refraction: 1.542
Molar Refractivity: 66.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 3.60
ACD/KOC (pH 7.4): 43.47
Polar Surface Area: 30 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 212.2±3.0 cm3

Click to predict properties on the Chemicalize site


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