ChemSpider 2D Image | (3R,4S)-1-Benzyl-4-(3-methoxyphenyl)-3-pyrrolidinecarboxylic acid | C19H21NO3

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

  • Molecular FormulaC19H21NO3
  • Average mass311.375 Da
  • Monoisotopic mass311.152130 Da
  • ChemSpider ID24541253
  • 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-(3-methoxyphenyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3R,4S)-1-Benzyl-4-(3-methoxyphenyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 4-(3-methoxyphenyl)-1-(phenylmethyl)-, (3R,4S)- [ACD/Index Name]
Acide (3R,4S)-1-benzyl-4-(3-méthoxyphényl)-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
(3R,4S)-1-Benzyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
(4S,3R)-4-(3-methoxyphenyl)-1-benzylpyrrolidine-3-carboxylic acid
939757-61-6 [RN]
MFCD22371868 [MDL number]
Trans-1-benzyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 479.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 243.6±28.7 °C
Index of Refraction: 1.600
Molar Refractivity: 88.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.20
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.92
Polar Surface Area: 50 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 258.5±3.0 cm3

Click to predict properties on the Chemicalize site






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