ChemSpider 2D Image | (3R,4S)-1-Benzyl-4-(4-methylphenyl)-3-pyrrolidinecarboxylic acid | C19H21NO2

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

  • Molecular FormulaC19H21NO2
  • Average mass295.375 Da
  • Monoisotopic mass295.157227 Da
  • ChemSpider ID24541249

  • 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-methylphenyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3R,4S)-1-Benzyl-4-(4-methylphenyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 4-(4-methylphenyl)-1-(phenylmethyl)-, (3R,4S)- [ACD/Index Name]
Acide (3R,4S)-1-benzyl-4-(4-méthylphényl)-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
(3R,4S)-1-Benzyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
(3R,4S)-1-benzyl-4-(p-tolyl)pyrrolidine-3-carboxylic acid
(4S,3R)-4-(4-methylphenyl)-1-benzylpyrrolidine-3-carboxylic acid
[80896-75-9] [RN]
80896-75-9 [RN]
MFCD12755536 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 463.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.4±3.0 kJ/mol
    Flash Point: 234.3±28.7 °C
    Index of Refraction: 1.607
    Molar Refractivity: 86.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.52
    ACD/LogD (pH 5.5): 1.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.37
    ACD/LogD (pH 7.4): 1.00
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.87
    Polar Surface Area: 41 Å2
    Polarizability: 34.3±0.5 10-24cm3
    Surface Tension: 51.3±3.0 dyne/cm
    Molar Volume: 250.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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