ChemSpider 2D Image | 4-tert-butylazepane | C10H21N

4-tert-butylazepane

  • Molecular FormulaC10H21N
  • Average mass155.280 Da
  • Monoisotopic mass155.167404 Da
  • ChemSpider ID25070865

More details:

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

1H-Azepine, 4-(1,1-dimethylethyl)hexahydro- [ACD/Index Name]
4-(2-Methyl-2-propanyl)azepan [German] [ACD/IUPAC Name]
4-(2-Methyl-2-propanyl)azepane [ACD/IUPAC Name]
4-(2-Méthyl-2-propanyl)azépane [French] [ACD/IUPAC Name]
4-tert-butylazepane
MFCD12174731 [MDL number]
[78813-90-8] [RN]
4-(1,1-Dimethylethyl)hexahydro-1H-azepine
4-(tert-Butyl)azepane
4-tert-Butyl-1-azacycloheptane

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

    Density: 0.8±0.1 g/cm3
    Boiling Point: 198.0±8.0 °C at 760 mmHg
    Vapour Pressure: 0.4±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 43.4±3.0 kJ/mol
    Flash Point: 67.4±16.5 °C
    Index of Refraction: 1.441
    Molar Refractivity: 49.2±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.22
    ACD/LogD (pH 5.5): -0.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.05
    Polar Surface Area: 12 Å2
    Polarizability: 19.5±0.5 10-24cm3
    Surface Tension: 26.6±3.0 dyne/cm
    Molar Volume: 186.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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