ChemSpider 2D Image | 1,3-Diazabicyclo[1.1.1]pentane | C3H6N2

1,3-Diazabicyclo[1.1.1]pentane

  • Molecular FormulaC3H6N2
  • Average mass70.093 Da
  • Monoisotopic mass70.053101 Da
  • ChemSpider ID57465963

More details:






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

1,3-Diazabicyclo[1.1.1]pentan [German] [ACD/IUPAC Name]
1,3-Diazabicyclo[1.1.1]pentane [ACD/Index Name] [ACD/IUPAC Name]
1,3-Diazabicyclo[1.1.1]pentane [French] [ACD/Index Name] [ACD/IUPAC Name]
71634-25-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 139.7±8.0 °C at 760 mmHg
Vapour Pressure: 6.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.7±3.0 kJ/mol
Flash Point: 33.7±6.3 °C
Index of Refraction: 1.660
Molar Refractivity: 19.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.20
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.92
Polar Surface Area: 6 Å2
Polarizability: 7.8±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 53.1±5.0 cm3

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