ChemSpider 2D Image | (1S,5S)-ethyl 3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate | C15H19NO2

(1S,5S)-ethyl 3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate

  • Molecular FormulaC15H19NO2
  • Average mass245.317 Da
  • Monoisotopic mass245.141586 Da
  • ChemSpider ID68010779

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5S)-3-Benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
(1S,5S)-ethyl 3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate
1204820-71-2 [RN]
3-Azabicyclo[3.1.0]hexane-1-carboxylic acid, 3-(phenylmethyl)-, ethyl ester, (1S,5S)- [ACD/Index Name]
Ethyl (1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate [ACD/IUPAC Name]
Ethyl-(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-1-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 318.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.0±3.0 kJ/mol
Flash Point: 111.2±14.0 °C
Index of Refraction: 1.589
Molar Refractivity: 69.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.11
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 10.10
ACD/KOC (pH 7.4): 104.40
Polar Surface Area: 30 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 205.7±3.0 cm3

Click to predict properties on the Chemicalize site


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