ChemSpider 2D Image | Ethyl 1-Boc-4-oxo-3-azepanecarboxylate | C14H23NO5

Ethyl 1-Boc-4-oxo-3-azepanecarboxylate

  • Molecular FormulaC14H23NO5
  • Average mass285.336 Da
  • Monoisotopic mass285.157623 Da
  • ChemSpider ID21108142

More details:

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

1-(1,1-Dimethylethyl) 3-ethyl hexahydro-4-oxo-1H-azepine-1,3-dicarboxylate
1H-Azepine-1,3-dicarboxylic acid, hexahydro-4-oxo-, 1-(1,1-dimethylethyl) 3-ethyl ester [ACD/Index Name]
1-tert-Butyl 3-ethyl 4-oxoazepane-1,3-dicarboxylate
3-Ethyl 1-(2-methyl-2-propanyl) 4-oxo-1,3-azepanedicarboxylate [ACD/IUPAC Name]
3-Ethyl-1-(2-methyl-2-propanyl)-4-oxo-1,3-azepandicarboxylat [German] [ACD/IUPAC Name]
4-Oxo-1,3-azépanedicarboxylate de 3-éthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
98977-37-8 [RN]
Ethyl 1-Boc-4-oxo-3-azepanecarboxylate
T7N DVTJ AVOX1&1&1 CVO2 [WLN]
[98977-37-8] [RN]
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 380.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.9±3.0 kJ/mol
    Flash Point: 184.1±27.9 °C
    Index of Refraction: 1.479
    Molar Refractivity: 71.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.31
    ACD/LogD (pH 5.5): 1.56
    ACD/BCF (pH 5.5): 9.04
    ACD/KOC (pH 5.5): 168.29
    ACD/LogD (pH 7.4): 1.56
    ACD/BCF (pH 7.4): 9.04
    ACD/KOC (pH 7.4): 168.25
    Polar Surface Area: 73 Å2
    Polarizability: 28.5±0.5 10-24cm3
    Surface Tension: 40.4±3.0 dyne/cm
    Molar Volume: 253.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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