ChemSpider 2D Image | Benzyl (1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate | C14H15NO3

Benzyl (1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate

  • Molecular FormulaC14H15NO3
  • Average mass245.274 Da
  • Monoisotopic mass245.105194 Da
  • ChemSpider ID29364441

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,4R)-5-Oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate de benzyle [French] [ACD/IUPAC Name]
140927-13-5 [RN]
2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, phenylmethyl ester, (1R,4R)- [ACD/Index Name]
Benzyl (1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate [ACD/IUPAC Name]
Benzyl-(1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2-carboxylat [German] [ACD/IUPAC Name]
1400808-09-4 [RN]
2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, phenylmethyl ester [ACD/Index Name]
benzyl 5-oxo-2aza-bicyclo[2.2.1]heptance-2-carboxylate
MFCD22689431

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 402.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.4±3.0 kJ/mol
    Flash Point: 197.2±28.7 °C
    Index of Refraction: 1.594
    Molar Refractivity: 64.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.85
    ACD/LogD (pH 5.5): 1.54
    ACD/BCF (pH 5.5): 8.80
    ACD/KOC (pH 5.5): 165.05
    ACD/LogD (pH 7.4): 1.54
    ACD/BCF (pH 7.4): 8.80
    ACD/KOC (pH 7.4): 165.05
    Polar Surface Area: 47 Å2
    Polarizability: 25.7±0.5 10-24cm3
    Surface Tension: 54.1±3.0 dyne/cm
    Molar Volume: 191.1±3.0 cm3

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