ChemSpider 2D Image | tert-butyl (1S,6R)-7-[(1R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octane-3-carboxylate | C19H28N2O2

tert-butyl (1S,6R)-7-[(1R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octane-3-carboxylate

  • Molecular FormulaC19H28N2O2
  • Average mass316.438 Da
  • Monoisotopic mass316.215088 Da
  • ChemSpider ID29785954

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,6R)-7-[(1R)-1-Phényléthyl]-3,7-diazabicyclo[4.2.0]octane-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1820574-76-2 [RN]
2-Methyl-2-propanyl (1S,6R)-7-[(1R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octane-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1S,6R)-7-[(1R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octan-3-carboxylat [German] [ACD/IUPAC Name]
3,7-Diazabicyclo[4.2.0]octane-3-carboxylic acid, 7-[(1R)-1-phenylethyl]-, 1,1-dimethylethyl ester, (1S,6R)- [ACD/Index Name]
tert-butyl (1S,6R)-7-[(1R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octane-3-carboxylate
(1S,6R)-3-Boc-7-[(R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octane
(1S,6R)-tert-Butyl 7-((R)-1-phenylethyl)-3,7-diazabicyclo[4.2.0]octane-3-carboxylate
1-Isobutyl-1H-imidazo[4,5-c]quinoline [ACD/IUPAC Name]
99010-24-9 [RN]
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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: 398.6±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.9±3.0 kJ/mol
    Flash Point: 194.9±27.9 °C
    Index of Refraction: 1.548
    Molar Refractivity: 91.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.09
    ACD/LogD (pH 5.5): 0.84
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.28
    ACD/LogD (pH 7.4): 2.51
    ACD/BCF (pH 7.4): 27.98
    ACD/KOC (pH 7.4): 201.42
    Polar Surface Area: 33 Å2
    Polarizability: 36.3±0.5 10-24cm3
    Surface Tension: 42.3±3.0 dyne/cm
    Molar Volume: 287.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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