ChemSpider 2D Image | N-Cbz-9-azabicyclo[3.3.1]nonan-3-one | C16H19NO3

N-Cbz-9-azabicyclo[3.3.1]nonan-3-one

  • Molecular FormulaC16H19NO3
  • Average mass273.327 Da
  • Monoisotopic mass273.136505 Da
  • ChemSpider ID22236332

More details:

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

146747-65-1 [RN]
3-Oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate de benzyle [French] [ACD/IUPAC Name]
9-Azabicyclo[3.3.1]nonane-9-carboxylic acid, 3-oxo-, phenylmethyl ester [ACD/Index Name]
Benzyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate [ACD/IUPAC Name]
Benzyl-3-oxo-9-azabicyclo[3.3.1]nonan-9-carboxylat [German] [ACD/IUPAC Name]
N-Cbz-9-azabicyclo[3.3.1]nonan-3-one
(1R,5S)-benzyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
[146747-65-1] [RN]
150-25-4 [RN]
89283-70-5 [RN]
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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: 429.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.4±3.0 kJ/mol
    Flash Point: 213.2±28.7 °C
    Index of Refraction: 1.568
    Molar Refractivity: 74.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.98
    ACD/LogD (pH 5.5): 2.63
    ACD/BCF (pH 5.5): 58.72
    ACD/KOC (pH 5.5): 642.28
    ACD/LogD (pH 7.4): 2.63
    ACD/BCF (pH 7.4): 58.72
    ACD/KOC (pH 7.4): 642.28
    Polar Surface Area: 47 Å2
    Polarizability: 29.4±0.5 10-24cm3
    Surface Tension: 48.6±3.0 dyne/cm
    Molar Volume: 226.6±3.0 cm3

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