ChemSpider 2D Image | Methyl 3-benzyl-3-azabicyclo[3.2.1]octane-8-carboxylate | C16H21NO2

Methyl 3-benzyl-3-azabicyclo[3.2.1]octane-8-carboxylate

  • Molecular FormulaC16H21NO2
  • Average mass259.343 Da
  • Monoisotopic mass259.157227 Da
  • ChemSpider ID71354987

More details:

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

2089333-94-6 [RN]
3-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-(phenylmethyl)-, methyl ester [ACD/Index Name]
3-Benzyl-3-azabicyclo[3.2.1]octane-8-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-benzyl-3-azabicyclo[3.2.1]octane-8-carboxylate [ACD/IUPAC Name]
Methyl-3-benzyl-3-azabicyclo[3.2.1]octan-8-carboxylat [German] [ACD/IUPAC Name]
MFCD30472102

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 344.5±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.8±3.0 kJ/mol
    Flash Point: 118.3±16.8 °C
    Index of Refraction: 1.557
    Molar Refractivity: 74.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.44
    ACD/LogD (pH 5.5): 0.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.73
    ACD/LogD (pH 7.4): 1.75
    ACD/BCF (pH 7.4): 7.77
    ACD/KOC (pH 7.4): 84.64
    Polar Surface Area: 30 Å2
    Polarizability: 29.3±0.5 10-24cm3
    Surface Tension: 43.7±3.0 dyne/cm
    Molar Volume: 229.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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