ChemSpider 2D Image | Methyl (3R,4S)-1-benzyl-4-(4-chlorophenyl)-3-pyrrolidinecarboxylate | C19H20ClNO2

Methyl (3R,4S)-1-benzyl-4-(4-chlorophenyl)-3-pyrrolidinecarboxylate

  • Molecular FormulaC19H20ClNO2
  • Average mass329.821 Da
  • Monoisotopic mass329.118256 Da
  • ChemSpider ID27456988

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-1-Benzyl-4-(4-chlorophényl)-3-pyrrolidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 4-(4-chlorophenyl)-1-(phenylmethyl)-, methyl ester, (3R,4S)- [ACD/Index Name]
862283-69-0 [RN]
Methyl (3R,4S)-1-benzyl-4-(4-chlorophenyl)-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
methyl (3R,4S)-1-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carboxylate
Methyl-(3R,4S)-1-benzyl-4-(4-chlorphenyl)-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
MFCD13195153 [MDL number]
MFCD26142161
Trans-methyl 1-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carboxylate
trans-methyl-1-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 426.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.6±28.7 °C
Index of Refraction: 1.588
Molar Refractivity: 91.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 9.51
ACD/KOC (pH 5.5): 42.83
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 449.13
ACD/KOC (pH 7.4): 2023.11
Polar Surface Area: 30 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 271.8±3.0 cm3

Click to predict properties on the Chemicalize site


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