ChemSpider 2D Image | (1R,5R)-3-Benzyl-3-azoniabicyclo[3.1.0]hexane-1-carboxylate | C13H15NO2

(1R,5R)-3-Benzyl-3-azoniabicyclo[3.1.0]hexane-1-carboxylate

  • Molecular FormulaC13H15NO2
  • Average mass217.264 Da
  • Monoisotopic mass217.110275 Da
  • ChemSpider ID32790336

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-3-Benzyl-3-azoniabicyclo[3.1.0]hexan-1-carboxylat [German] [ACD/IUPAC Name]
(1R,5R)-3-Benzyl-3-azoniabicyclo[3.1.0]hexane-1-carboxylate [ACD/IUPAC Name]
(1R,5R)-3-Benzyl-3-azoniabicyclo[3.1.0]hexane-1-carboxylate [French] [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-1-carboxylic acid, 3-(phenylmethyl)-, (1R,5R)- [ACD/Index Name]
(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
MFCD32821024

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

Density:
Boiling Point: 353.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 167.7±23.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 45 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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