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

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

  • Molecular FormulaC19H21NO2
  • Average mass295.375 Da
  • Monoisotopic mass295.157227 Da
  • ChemSpider ID28468004

  • 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-(4-methylphenyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3S,4R)-1-Benzyl-4-(4-methylphenyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 4-(4-methylphenyl)-1-(phenylmethyl)-, (3S,4R)- [ACD/Index Name]
80896-75-9 [RN]
Acide (3S,4R)-1-benzyl-4-(4-méthylphényl)-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
rel-(3R,4S)-4-(4-Methylphenyl)-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid
(3S,4R)-1-benzyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
1820581-27-8 [RN]
MFCD12755536 [MDL number]
MFCD31449480
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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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