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Search term: MF = 'C_{16}H_{19}NO_{4}'

ChemSpider 2D Image | 8-(Phenylmethyl) 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate | C16H19NO4

8-(Phenylmethyl) 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate

  • Molecular FormulaC16H19NO4
  • Average mass289.326 Da
  • Monoisotopic mass289.131409 Da
  • ChemSpider ID24958074

More details:






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

1159822-23-7 [RN]
8-(Phenylmethyl) 8-azabicyclo[3.2.1]octane-3,8-dicarboxylate
8-[(Benzyloxy)carbonyl]-8-azabicyclo[3.2.1]octan-3-carbonsäure [German] [ACD/IUPAC Name]
8-[(Benzyloxy)carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-3,8-dicarboxylic acid, 8-(phenylmethyl) ester [ACD/Index Name]
Acide 8-[(benzyloxy)carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxylique [French] [ACD/IUPAC Name]
[1159822-23-7] [RN]
8-((Benzyloxy)carbonyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
8-(Benzyloxycarbonyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
8-Aza-bicyclo[3.2.1]octane-3,8-dicarboxylic acid 8-benzyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 472.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.5±3.0 kJ/mol
    Flash Point: 239.7±28.7 °C
    Index of Refraction: 1.587
    Molar Refractivity: 75.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.08
    ACD/LogD (pH 5.5): 1.50
    ACD/BCF (pH 5.5): 4.67
    ACD/KOC (pH 5.5): 54.45
    ACD/LogD (pH 7.4): -0.30
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 67 Å2
    Polarizability: 29.9±0.5 10-24cm3
    Surface Tension: 55.6±3.0 dyne/cm
    Molar Volume: 224.6±3.0 cm3

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