ChemSpider 2D Image | 3-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)quinoline | C16H16N2

3-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)quinoline

  • Molecular FormulaC16H16N2
  • Average mass236.312 Da
  • Monoisotopic mass236.131348 Da
  • ChemSpider ID24699675

More details:

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

1-Azabicyclo[2.2.2]oct-2-ene, 3-(3-quinolinyl)- [ACD/Index Name]
3-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)chinolin [German] [ACD/IUPAC Name]
3-(1-Azabicyclo[2.2.2]oct-2-én-3-yl)quinoléine [French] [ACD/IUPAC Name]
3-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)quinoline [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL478340/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 418.2±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 206.7±22.9 °C
Index of Refraction: 1.686
Molar Refractivity: 74.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 2.07
ACD/KOC (pH 5.5): 17.19
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 45.33
ACD/KOC (pH 7.4): 375.90
Polar Surface Area: 16 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 194.4±5.0 cm3

Click to predict properties on the Chemicalize site


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