ChemSpider 2D Image | Methyl (3S,4S)-1-benzyl-4-phenyl-3-pyrrolidinecarboxylate | C19H21NO2

Methyl (3S,4S)-1-benzyl-4-phenyl-3-pyrrolidinecarboxylate

  • Molecular FormulaC19H21NO2
  • Average mass295.375 Da
  • Monoisotopic mass295.157227 Da
  • ChemSpider ID62912823

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-1-Benzyl-4-phényl-3-pyrrolidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 4-phenyl-1-(phenylmethyl)-, methyl ester, (3S,4S)- [ACD/Index Name]
Methyl (3S,4S)-1-benzyl-4-phenyl-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
Methyl-(3S,4S)-1-benzyl-4-phenyl-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
221141-59-9 [RN]
87813-03-4 [RN]
Methyl DL-1-benzyl-4-phenylpyrrolidine-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: 402.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 134.3±19.6 °C
Index of Refraction: 1.581
Molar Refractivity: 86.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 11.11
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 79.62
ACD/KOC (pH 7.4): 553.01
Polar Surface Area: 30 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 259.9±3.0 cm3

Click to predict properties on the Chemicalize site


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