ChemSpider 2D Image | tert-butyl (1R,3s,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate | C12H21NO3

tert-butyl (1R,3s,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

  • Molecular FormulaC12H21NO3
  • Average mass227.300 Da
  • Monoisotopic mass227.152145 Da
  • ChemSpider ID28599728

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3-exo)-3-Hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
194222-05-4 [RN]
2-Methyl-2-propanyl (3-exo)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3-exo)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-carboxylat [German] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester, (3-exo) [ACD/Index Name]
tert-butyl (1R,3s,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
(1R,3s,5S)-tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
(1R,3S,5S)-TERT-BUTYL-3-HYDROXY-8-AZABICYCLO-[3.2.1]-OCTANE-8-CARBOXYLATE
143557-91-9 [RN]
8-azabicyclo[3.2.1]octane-8-carboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester, (3-exo)-
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 327.9±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 66.1±6.0 kJ/mol
    Flash Point: 152.1±25.9 °C
    Index of Refraction: 1.521
    Molar Refractivity: 60.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.03
    ACD/LogD (pH 5.5): 1.71
    ACD/BCF (pH 5.5): 11.75
    ACD/KOC (pH 5.5): 203.05
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 11.75
    ACD/KOC (pH 7.4): 203.05
    Polar Surface Area: 50 Å2
    Polarizability: 23.9±0.5 10-24cm3
    Surface Tension: 44.1±3.0 dyne/cm
    Molar Volume: 198.2±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement