ChemSpider 2D Image | Methyl (3S)-1-benzyl-3-pyrrolidinecarboxylate | C13H17NO2

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

  • Molecular FormulaC13H17NO2
  • Average mass219.280 Da
  • Monoisotopic mass219.125931 Da
  • ChemSpider ID29303484

  • 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 de méthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-(phenylmethyl)-, methyl ester, (3S)- [ACD/Index Name]
Methyl (3S)-1-benzyl-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
Methyl-(3S)-1-benzyl-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(S)-methyl 1-benzylpyrrolidine-3-carboxylate
216311-58-9 [RN]
methyl (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: 292.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.2±3.0 kJ/mol
Flash Point: 104.8±16.3 °C
Index of Refraction: 1.548
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 1.86
ACD/KOC (pH 7.4): 28.47
Polar Surface Area: 30 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 195.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement