ChemSpider 2D Image | 2,3-Diazabicyclo[2.2.2]oct-2-ene | C6H10N2

2,3-Diazabicyclo[2.2.2]oct-2-ene

  • Molecular FormulaC6H10N2
  • Average mass110.157 Da
  • Monoisotopic mass110.084396 Da
  • ChemSpider ID28542212
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1s,4s)-2,3-Diazabicyclo[2.2.2]oct-2-en [German] [ACD/IUPAC Name]
(1s,4s)-2,3-Diazabicyclo[2.2.2]oct-2-ene [ACD/IUPAC Name]
(1s,4s)-2,3-Diazabicyclo[2.2.2]oct-2-ène [French] [ACD/IUPAC Name]
2,3-Diazabicyclo[2.2.2]oct-2-ene [ACD/Index Name] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 144.0±7.0 °C at 760 mmHg
Vapour Pressure: 6.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 36.5±3.0 kJ/mol
Flash Point: 32.0±19.0 °C
Index of Refraction: 1.696
Molar Refractivity: 31.2±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.18
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.22
ACD/KOC (pH 5.5): 80.45
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.22
ACD/KOC (pH 7.4): 80.45
Polar Surface Area: 25 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 81.1±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement