ChemSpider 2D Image | 3-[3-(1-Benzothiophen-2-yl)propyl]quinuclidine | C18H23NS

3-[3-(1-Benzothiophen-2-yl)propyl]quinuclidine

  • Molecular FormulaC18H23NS
  • Average mass285.447 Da
  • Monoisotopic mass285.155121 Da
  • ChemSpider ID23205085

More details:

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

1-Azabicyclo[2.2.2]octane, 3-(3-benzo[b]thien-2-ylpropyl)- [ACD/Index Name]
3-[3-(1-benzothiophen-2-yl)propyl]-1-azabicyclo[2.2.2]octane
3-[3-(1-Benzothiophen-2-yl)propyl]chinuclidin [German] [ACD/IUPAC Name]
3-[3-(1-Benzothiophen-2-yl)propyl]quinuclidine [ACD/IUPAC Name]
3-[3-(1-Benzothiophén-2-yl)propyl]quinuclidine [French] [ACD/IUPAC Name]
3-(3-Benzo[b]thiophen-2-yl-propyl)-1-aza-bicyclo[2.2.2]octane
392287-66-0 [RN]
CHEMBL124899

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

Density: 1.2±0.1 g/cm3
Boiling Point: 417.0±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 206.0±21.2 °C
Index of Refraction: 1.633
Molar Refractivity: 88.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 5.34
ACD/KOC (pH 5.5): 15.20
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 7.28
ACD/KOC (pH 7.4): 20.74
Polar Surface Area: 31 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 248.0±5.0 cm3

Click to predict properties on the Chemicalize site


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