ChemSpider 2D Image | tert-Butyl 2,3,6,7-tetrahydro-1H-azepine-1-carboxylate | C11H19NO2

tert-Butyl 2,3,6,7-tetrahydro-1H-azepine-1-carboxylate

  • Molecular FormulaC11H19NO2
  • Average mass197.274 Da
  • Monoisotopic mass197.141586 Da
  • ChemSpider ID21429308

More details:

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

1H-Azepine-1-carboxylic acid, 2,3,6,7-tetrahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2,3,6,7-Tétrahydro-1H-azépine-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2,3,6,7-tetrahydroazepine-1-carboxylic acid tert-butyl ester
2-Methyl-2-propanyl 2,3,6,7-tetrahydro-1H-azepine-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2,3,6,7-tetrahydro-1H-azepin-1-carboxylat [German] [ACD/IUPAC Name]
317336-73-5 [RN]
tert-Butyl 2,3,6,7-tetrahydro-1H-azepine-1-carboxylate
(Z)-tert-Butyl 2,3,6,7-tetrahydro-1H-azepine-1-carboxylate
(Z)-tert-Butyl 2,3,6,7-tetrahydroazepine-1-carboxylate
(z)-tert-butyl 2,3,6,7-tetrahydroazepine-1-carboxylate(wx685405)
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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: 1.0±0.1 g/cm3
    Boiling Point: 262.2±29.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.0±3.0 kJ/mol
    Flash Point: 112.4±24.3 °C
    Index of Refraction: 1.481
    Molar Refractivity: 55.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.35
    ACD/LogD (pH 5.5): 2.48
    ACD/BCF (pH 5.5): 45.36
    ACD/KOC (pH 5.5): 533.94
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 45.36
    ACD/KOC (pH 7.4): 533.94
    Polar Surface Area: 30 Å2
    Polarizability: 22.1±0.5 10-24cm3
    Surface Tension: 35.2±3.0 dyne/cm
    Molar Volume: 195.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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