ChemSpider 2D Image | Methyl 3-(benzoyloxy)-8-(~2~H_3_)methyl-8-azabicyclo[3.2.1]octane-2-carboxylate | C17H18D3NO4

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

  • Molecular FormulaC17H18D3NO4
  • Average mass306.371 Da
  • Monoisotopic mass306.165894 Da
  • ChemSpider ID27523966

  • Non-standard isotope - Non-standard isotope

More details:

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

200-835-2 [EINECS]
3-(Benzoyloxy)-8-(2H3)méthyl-8-azabicyclo[3.2.1]octane-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
65266-73-1 [RN]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-(methyl-d3)-, methyl ester [ACD/Index Name]
Methyl 3-(benzoyloxy)-8-(2H3)methyl-8-azabicyclo[3.2.1]octane-2-carboxylate [ACD/IUPAC Name]
Methyl-3-(benzoyloxy)-8-(2H3)methyl-8-azabicyclo[3.2.1]octan-2-carboxylat [German] [ACD/IUPAC Name]
138704-14-0 [RN]
50-36-2 [RN]
Cocaine N-Methyl-d3
Cocaine-d3
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 395.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.5±3.0 kJ/mol
    Flash Point: 192.8±27.9 °C
    Index of Refraction: 1.568
    Molar Refractivity: 81.1±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.08
    ACD/LogD (pH 5.5): -0.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 1.22
    ACD/BCF (pH 7.4): 2.09
    ACD/KOC (pH 7.4): 21.16
    Polar Surface Area: 56 Å2
    Polarizability: 32.2±0.5 10-24cm3
    Surface Tension: 48.5±5.0 dyne/cm
    Molar Volume: 248.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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