ChemSpider 2D Image | (3R)-1-Azabicyclo[2.2.2]oct-3-yl hydroxy(phenyl)(~2~H_5_)phenylacetate | C21H18D5NO3

(3R)-1-Azabicyclo[2.2.2]oct-3-yl hydroxy(phenyl)(2H5)phenylacetate

  • Molecular FormulaC21H18D5NO3
  • Average mass342.443 Da
  • Monoisotopic mass342.199188 Da
  • ChemSpider ID58785407

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R)-1-Azabicyclo[2.2.2]oct-3-yl hydroxy(phenyl)(2H5)phenylacetate [ACD/IUPAC Name]
(3R)-1-Azabicyclo[2.2.2]oct-3-yl-hydroxy(phenyl)(2H5)phenylacetat [German] [ACD/IUPAC Name]
Benzene-2,3,4,5,6-d5-acetic acid, α-hydroxy-α-phenyl-, (3R)-1-azabicyclo[2.2.2]oct-3-yl ester [ACD/Index Name]
Hydroxy(phényl)(2H5)phénylacétate de (3R)-1-azabicyclo[2.2.2]oct-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 439.0±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 219.3±22.9 °C
Index of Refraction: 1.637
Molar Refractivity: 96.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.79
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 7.31
ACD/KOC (pH 7.4): 61.46
Polar Surface Area: 50 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 268.3±5.0 cm3

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