ChemSpider 2D Image | tert-Butyl (1R,3S,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate | C13H24N2O2

tert-Butyl (1R,3S,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

  • Molecular FormulaC13H24N2O2
  • Average mass240.342 Da
  • Monoisotopic mass240.183777 Da
  • ChemSpider ID34983008

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3-endo)-3-(Aminométhyl)-8-azabicyclo[3.2.1]octane-8-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
273376-40-2 [RN]
2-Methyl-2-propanyl (3-endo)-3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3-endo)-3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-carboxylat [German] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester, (3-endo) [ACD/Index Name]
tert-Butyl (1R,3S,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
(3-endo)-tert-Butyl 3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
273207-53-7 [RN]
endo-3-aminomethyl-8-boc-8-azabicyclo[3.2.1]octane
exo-3-Aminomethyl-8-Boc-8-azabicyclo[3.2.1]octane
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 333.9±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.7±3.0 kJ/mol
    Flash Point: 155.7±20.4 °C
    Index of Refraction: 1.504
    Molar Refractivity: 66.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.36
    ACD/LogD (pH 5.5): -1.60
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 56 Å2
    Polarizability: 26.5±0.5 10-24cm3
    Surface Tension: 38.7±3.0 dyne/cm
    Molar Volume: 225.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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