ChemSpider 2D Image | Methyl (3R,4S)-1-benzyl-4-(4-methylphenyl)-3-pyrrolidinecarboxylate | C20H23NO2

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

  • Molecular FormulaC20H23NO2
  • Average mass309.402 Da
  • Monoisotopic mass309.172882 Da
  • ChemSpider ID27457133
  • 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-méthylphényl)-3-pyrrolidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 4-(4-methylphenyl)-1-(phenylmethyl)-, methyl ester, (3R,4S)- [ACD/Index Name]
Methyl (3R,4S)-1-benzyl-4-(4-methylphenyl)-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
Methyl-(3R,4S)-1-benzyl-4-(4-methylphenyl)-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(3R,4S)-Methyl 1-benzyl-4-(p-tolyl)pyrrolidine-3-carboxylate
(3r,4s)methyl 1-benzyl-4-p-tolylpyrrolidine-3-carboxylate
(3R,4S)-methyl 1-benzyl-4-p-tolylpyrrolidine-3-carboxylate
898547-79-0 [RN]
methyl (3R,4S)-1-benzyl-4-(p-tolyl)pyrrolidine-3-carboxylate
MFCD20489350 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 419.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 136.2±19.6 °C
Index of Refraction: 1.576
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 4.83
ACD/KOC (pH 5.5): 23.37
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 244.95
ACD/KOC (pH 7.4): 1185.46
Polar Surface Area: 30 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 276.2±3.0 cm3

Click to predict properties on the Chemicalize site






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