ChemSpider 2D Image | Methyl 3-[(3-hydroxybenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate | C17H21NO5

Methyl 3-[(3-hydroxybenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

  • Molecular FormulaC17H21NO5
  • Average mass319.352 Da
  • Monoisotopic mass319.141968 Da
  • ChemSpider ID26502800

More details:

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

3-[(3-Hydroxybenzoyl)oxy]-8-méthyl-8-azabicyclo[3.2.1]octane-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
71387-58-1 [RN]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-[(3-hydroxybenzoyl)oxy]-8-methyl-, methyl ester [ACD/Index Name]
Methyl 3-[(3-hydroxybenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate [ACD/IUPAC Name]
Methyl-3-[(3-hydroxybenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-2-carboxylat [German] [ACD/IUPAC Name]
74185-95-8 [RN]
METHYL(1R)-3-[(3-HYDROXYBENZOYL)OXY]-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLATE
m-Hydroxycocaine
m-Hydroxycocainemissing

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

  • Gas Chromatography

    • Retention Index (Kovats):

      2424 (estimated with error: 89) NIST Spectra mainlib_352943

    • Retention Index (Linear):

      2586.7 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: Multi-step temperature program; T(initial)=60C; T(final)=270C; CAS no: 71387581; Active phase: VF-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., 2008.) NIST Spectra nist ri

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

Density: 1.3±0.1 g/cm3
Boiling Point: 459.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 231.9±28.7 °C
Index of Refraction: 1.590
Molar Refractivity: 82.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 2.19
ACD/KOC (pH 7.4): 24.98
Polar Surface Area: 76 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 245.0±5.0 cm3

Click to predict properties on the Chemicalize site


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