ChemSpider 2D Image | Benzyl {2-[(3S)-3-hydroxy-1-pyrrolidinyl]-1-phenylethyl}methylcarbamate | C21H26N2O3

Benzyl {2-[(3S)-3-hydroxy-1-pyrrolidinyl]-1-phenylethyl}methylcarbamate

  • Molecular FormulaC21H26N2O3
  • Average mass354.443 Da
  • Monoisotopic mass354.194336 Da
  • ChemSpider ID30647173

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

{2-[(3S)-3-Hydroxy-1-pyrrolidinyl]-1-phényléthyl}méthylcarbamate de benzyle [French] [ACD/IUPAC Name]
672310-23-5 [RN]
Benzyl (2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)(methyl)carbamate
Benzyl {2-[(3S)-3-hydroxy-1-pyrrolidinyl]-1-phenylethyl}methylcarbamate [ACD/IUPAC Name]
Benzyl-{2-[(3S)-3-hydroxy-1-pyrrolidinyl]-1-phenylethyl}methylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[(3S)-3-hydroxy-1-pyrrolidinyl]-1-phenylethyl]-N-methyl-, phenylmethyl ester [ACD/Index Name]
BENZYL N-{2-[(3S)-3-HYDROXYPYRROLIDIN-1-YL]-1-PHENYLETHYL}-N-METHYLCARBAMATE
MFCD03426436

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 515.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 265.3±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 101.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.85
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 46.52
ACD/KOC (pH 7.4): 384.65
Polar Surface Area: 53 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 296.7±3.0 cm3

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