ChemSpider 2D Image | 3-(5-Chloro-2H-tetrazol-2-yl)quinuclidine | C8H12ClN5

3-(5-Chloro-2H-tetrazol-2-yl)quinuclidine

  • Molecular FormulaC8H12ClN5
  • Average mass213.667 Da
  • Monoisotopic mass213.078125 Da
  • ChemSpider ID13796619

More details:

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

1-Azabicyclo[2.2.2]octane, 3-(5-chloro-2H-tetrazol-2-yl)- [ACD/Index Name]
3-(5-Chlor-2H-tetrazol-2-yl)chinuclidin [German] [ACD/IUPAC Name]
3-(5-chloro-2H-tetrazol-2-yl)-1-azabicyclo[2.2.2]octane
3-(5-Chloro-2H-tetrazol-2-yl)quinuclidine [ACD/IUPAC Name]
3-(5-Chloro-2H-tétrazol-2-yl)quinuclidine [French] [ACD/IUPAC Name]
142482-77-7 [RN]
3-(5-Chloro-tetrazol-2-yl)-1-aza-bicyclo[2.2.2]octane

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

Density: 1.8±0.1 g/cm3
Boiling Point: 362.7±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.9±3.0 kJ/mol
Flash Point: 173.1±28.4 °C
Index of Refraction: 1.838
Molar Refractivity: 53.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -1.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.02
Polar Surface Area: 47 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 74.6±7.0 dyne/cm
Molar Volume: 120.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement