ChemSpider 2D Image | 2-Methyl-2-propanyl 3-(aminomethyl)-3-fluoro-8-azabicyclo[3.2.1]octane-8-carboxylate | C13H23FN2O2

2-Methyl-2-propanyl 3-(aminomethyl)-3-fluoro-8-azabicyclo[3.2.1]octane-8-carboxylate

  • Molecular FormulaC13H23FN2O2
  • Average mass258.332 Da
  • Monoisotopic mass258.174347 Da
  • ChemSpider ID73988064

More details:

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

2-Methyl-2-propanyl 3-(aminomethyl)-3-fluoro-8-azabicyclo[3.2.1]octane-8-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(aminomethyl)-3-fluor-8-azabicyclo[3.2.1]octan-8-carboxylat [German] [ACD/IUPAC Name]
3-(Aminométhyl)-3-fluoro-8-azabicyclo[3.2.1]octane-8-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-(aminomethyl)-3-fluoro-, 1,1-dimethylethyl ester [ACD/Index Name]
2097968-01-7 [RN]
MFCD30494030
tert-butyl 3-(aminomethyl)-3-fluoro-8-azabicyclo[3.2.1]octane-8-carboxylate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 336.8±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.0±3.0 kJ/mol
    Flash Point: 157.5±23.7 °C
    Index of Refraction: 1.509
    Molar Refractivity: 67.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.33
    ACD/LogD (pH 5.5): -1.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.85
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 56 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 40.4±5.0 dyne/cm
    Molar Volume: 226.4±5.0 cm3

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