ChemSpider 2D Image | Benzyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate | C18H23NO3

Benzyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate

  • Molecular FormulaC18H23NO3
  • Average mass301.380 Da
  • Monoisotopic mass301.167786 Da
  • ChemSpider ID28638956

More details:

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

1056629-20-9 [RN]
3-Azaspiro[5.5]undecane-3-carboxylic acid, 9-oxo-, phenylmethyl ester [ACD/Index Name]
9-Oxo-3-azaspiro[5.5]undécane-3-carboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate [ACD/IUPAC Name]
Benzyl-9-oxo-3-azaspiro[5.5]undecan-3-carboxylat [German] [ACD/IUPAC Name]
[1056629-20-9] [RN]
9-Oxo-3-aza-spiro5.5undecane-3-carboxylic acid benzyl ester
BENZYL-9-OXO-3-AZASPIRO[5.5]UNDECANE-3-CARBOXYLATE
MFCD17018653 [MDL number]
N-Cbz-9-oxo-3-azaspiro[5.5]undecane
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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: 461.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.2±3.0 kJ/mol
    Flash Point: 232.7±28.7 °C
    Index of Refraction: 1.570
    Molar Refractivity: 84.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.13
    ACD/LogD (pH 5.5): 2.81
    ACD/BCF (pH 5.5): 80.59
    ACD/KOC (pH 5.5): 805.60
    ACD/LogD (pH 7.4): 2.81
    ACD/BCF (pH 7.4): 80.59
    ACD/KOC (pH 7.4): 805.60
    Polar Surface Area: 47 Å2
    Polarizability: 33.3±0.5 10-24cm3
    Surface Tension: 49.3±5.0 dyne/cm
    Molar Volume: 256.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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