ChemSpider 2D Image | tert-butyl 2-ethyl-5-oxo-1,4-diazepane-1-carboxylate | C12H22N2O3

tert-butyl 2-ethyl-5-oxo-1,4-diazepane-1-carboxylate

  • Molecular FormulaC12H22N2O3
  • Average mass242.315 Da
  • Monoisotopic mass242.163040 Da
  • ChemSpider ID26457453

More details:

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

1255147-08-0 [RN]
1H-1,4-Diazepine-1-carboxylic acid, 2-ethylhexahydro-5-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Éthyl-5-oxo-1,4-diazépane-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-ethyl-5-oxo-1,4-diazepane-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-ethyl-5-oxo-1,4-diazepan-1-carboxylat [German] [ACD/IUPAC Name]
tert-butyl 2-ethyl-5-oxo-1,4-diazepane-1-carboxylate
MFCD18064614 [MDL number]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 389.7±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.9±3.0 kJ/mol
    Flash Point: 189.5±25.9 °C
    Index of Refraction: 1.465
    Molar Refractivity: 64.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.32
    ACD/LogD (pH 5.5): 1.14
    ACD/BCF (pH 5.5): 4.32
    ACD/KOC (pH 5.5): 99.22
    ACD/LogD (pH 7.4): 1.14
    ACD/BCF (pH 7.4): 4.32
    ACD/KOC (pH 7.4): 99.22
    Polar Surface Area: 59 Å2
    Polarizability: 25.5±0.5 10-24cm3
    Surface Tension: 33.8±3.0 dyne/cm
    Molar Volume: 232.5±3.0 cm3

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