ChemSpider 2D Image | (2S)-2-{2-[(1S)-1-(4-Chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine | C21H26ClNO

(2S)-2-{2-[(1S)-1-(4-Chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine

  • Molecular FormulaC21H26ClNO
  • Average mass343.890 Da
  • Monoisotopic mass343.170288 Da
  • ChemSpider ID32809573
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-2-{2-[(1S)-1-(4-Chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine [ACD/IUPAC Name]
(2S)-2-{2-[(1S)-1-(4-Chlorophényl)-1-phényléthoxy]éthyl}-1-méthylpyrrolidine [French] [ACD/IUPAC Name]
(2S)-2-{2-[(1S)-1-(4-Chlorphenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidin [German] [ACD/IUPAC Name]
Pyrrolidine, 2-[2-[(1S)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methyl-, (2S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 425.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 211.0±24.6 °C
Index of Refraction: 1.554
Molar Refractivity: 100.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 13.65
ACD/KOC (pH 5.5): 29.92
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 38.00
ACD/KOC (pH 7.4): 83.30
Polar Surface Area: 12 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 313.3±3.0 cm3

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