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

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

  • Molecular FormulaC18H19NO2
  • Average mass281.349 Da
  • Monoisotopic mass281.141571 Da
  • ChemSpider ID28467991

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-1-Benzyl-4-phenyl-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3S,4R)-1-Benzyl-4-phenyl-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
3-Pyrrolidinecarboxylic acid, 4-phenyl-1-(phenylmethyl)-, (3S,4R)- [ACD/Index Name]
80896-73-7 [RN]
Acide (3S,4R)-1-benzyl-4-phényl-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
1821739-17-6 [RN]
Chemistry 15322
CID 12922299
MFCD11845475 [MDL number]
More...

    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

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