ChemSpider 2D Image | Ethyl 3-(benzoyloxy)-8-(~2~H_3_)methyl-8-azabicyclo[3.2.1]octane-2-carboxylate | C18H20D3NO4

Ethyl 3-(benzoyloxy)-8-(2H3)methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

  • Molecular FormulaC18H20D3NO4
  • Average mass320.398 Da
  • Monoisotopic mass320.181549 Da
  • ChemSpider ID48058650

  • Non-standard isotope - Non-standard isotope

More details:

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

136765-30-5 [RN]
3-(Benzoyloxy)-8-(2H3)méthyl-8-azabicyclo[3.2.1]octane-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-(methyl-d3)-, ethyl ester [ACD/Index Name]
Ethyl 3-(benzoyloxy)-8-(2H3)methyl-8-azabicyclo[3.2.1]octane-2-carboxylate [ACD/IUPAC Name]
Ethyl-3-(benzoyloxy)-8-(2H3)methyl-8-azabicyclo[3.2.1]octan-2-carboxylat [German] [ACD/IUPAC Name]
1329793-76-1 [RN]
Cocaethylene-D3missing
ethyl 3-benzoyloxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-4-carboxylate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 408.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.1±3.0 kJ/mol
    Flash Point: 201.0±28.7 °C
    Index of Refraction: 1.562
    Molar Refractivity: 85.7±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.61
    ACD/LogD (pH 5.5): 0.18
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.32
    ACD/LogD (pH 7.4): 1.50
    ACD/BCF (pH 7.4): 3.31
    ACD/KOC (pH 7.4): 28.05
    Polar Surface Area: 56 Å2
    Polarizability: 34.0±0.5 10-24cm3
    Surface Tension: 47.7±5.0 dyne/cm
    Molar Volume: 264.3±5.0 cm3

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