ChemSpider 2D Image | (3R,4R)-1-Benzyl-4-phenyl-3-pyrrolidinecarboxylic acid | C18H19NO2

(3R,4R)-1-Benzyl-4-phenyl-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC18H19NO2
  • Average mass281.349 Da
  • Monoisotopic mass281.141571 Da
  • ChemSpider ID34999130

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-1-Benzyl-4-phenyl-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3R,4R)-1-Benzyl-4-phenyl-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 4-phenyl-1-(phenylmethyl)-, (3R,4R)- [ACD/Index Name]
Acide (3R,4R)-1-benzyl-4-phényl-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
(3R,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 449.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 225.3±28.7 °C
Index of Refraction: 1.614
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.04
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.65
Polar Surface Area: 41 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 234.5±3.0 cm3

Click to predict properties on the Chemicalize site


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