ChemSpider 2D Image | (1R,2R,3S,5S)-3-(3,4-Dichlorophenyl)-2-{[(~2~H_5_)ethyloxy]methyl}-8-methyl-8-azabicyclo[3.2.1]octane | C17H18D5Cl2NO

(1R,2R,3S,5S)-3-(3,4-Dichlorophenyl)-2-{[(2H5)ethyloxy]methyl}-8-methyl-8-azabicyclo[3.2.1]octane

  • Molecular FormulaC17H18D5Cl2NO
  • Average mass333.307 Da
  • Monoisotopic mass332.147064 Da
  • ChemSpider ID107443149

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,2R,3S,5S)-3-(3,4-Dichlorophenyl)-2-{[(2H5)ethyloxy]methyl}-8-methyl-8-azabicyclo[3.2.1]octane [ACD/IUPAC Name]
(1R,2R,3S,5S)-3-(3,4-Dichlorophényl)-2-{[(2H5)éthyloxy]méthyl}-8-méthyl-8-azabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
(1R,2R,3S,5S)-3-(3,4-Dichlorphenyl)-2-{[(2H5)ethyloxy]methyl}-8-methyl-8-azabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane, 3-(3,4-dichlorophenyl)-2-[(ethyl-d5-oxy)methyl]-8-methyl-, (1R,2R,3S,5S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 396.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.7±3.0 kJ/mol
Flash Point: 193.7±27.9 °C
Index of Refraction: 1.539
Molar Refractivity: 88.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.53
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 2.03
ACD/KOC (pH 7.4): 9.38
Polar Surface Area: 12 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 282.5±3.0 cm3

Click to predict properties on the Chemicalize site


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