ChemSpider 2D Image | 2-Methyl-2-propanyl (1R,5S)-3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate | C13H21NO3

2-Methyl-2-propanyl (1R,5S)-3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate

  • Molecular FormulaC13H21NO3
  • Average mass239.311 Da
  • Monoisotopic mass239.152145 Da
  • ChemSpider ID27471199

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-3-Oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1R,5S)-3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1R,5S)-3-oxo-9-azabicyclo[3.3.1]nonan-9-carboxylat [German] [ACD/IUPAC Name]
9-Azabicyclo[3.3.1]nonane-9-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester, (1R,5S)- [ACD/Index Name]
(1R,5S)-tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
512822-27-4 [RN]
9-Boc-3-oxo-9-azabicyclo[3.3.1]nonane
9-boc-9-aza-bicyclo[3.3.1]nonan-3-one
MFCD09997838 [MDL number]
N-Boc-9-azabicyclo[3.3.1]nonan-3-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 342.9±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.7±3.0 kJ/mol
    Flash Point: 161.2±25.9 °C
    Index of Refraction: 1.501
    Molar Refractivity: 63.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.37
    ACD/LogD (pH 5.5): 2.33
    ACD/BCF (pH 5.5): 34.98
    ACD/KOC (pH 5.5): 443.32
    ACD/LogD (pH 7.4): 2.33
    ACD/BCF (pH 7.4): 34.98
    ACD/KOC (pH 7.4): 443.32
    Polar Surface Area: 47 Å2
    Polarizability: 25.2±0.5 10-24cm3
    Surface Tension: 39.7±3.0 dyne/cm
    Molar Volume: 215.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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