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

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

  • Molecular FormulaC14H15NO3
  • Average mass245.274 Da
  • Monoisotopic mass245.105194 Da
  • ChemSpider ID32790325

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

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

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

Click to predict properties on the Chemicalize site


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