ChemSpider 2D Image | Methyl (1S,5R)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate | C9H13NO2

Methyl (1S,5R)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate

  • Molecular FormulaC9H13NO2
  • Average mass167.205 Da
  • Monoisotopic mass167.094635 Da
  • ChemSpider ID61708384

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5R)-8-Azabicyclo[3.2.1]oct-2-ène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid, methyl ester, (1S,5R)- [ACD/Index Name]
Methyl (1S,5R)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
Methyl-(1S,5R)-8-azabicyclo[3.2.1]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
1932768-60-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 251.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.9±3.0 kJ/mol
Flash Point: 105.8±24.0 °C
Index of Refraction: 1.510
Molar Refractivity: 44.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.19
Polar Surface Area: 38 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 147.9±3.0 cm3

Click to predict properties on the Chemicalize site


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