ChemSpider 2D Image | 2,4,6-Triazabicyclo[3.1.0]hexa-1,3-diene | C3H3N3

2,4,6-Triazabicyclo[3.1.0]hexa-1,3-diene

  • Molecular FormulaC3H3N3
  • Average mass81.076 Da
  • Monoisotopic mass81.032700 Da
  • ChemSpider ID67493038

More details:

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

2,4,6-Triazabicyclo[3.1.0]hexa-1,3-dien [German] [ACD/IUPAC Name]
2,4,6-Triazabicyclo[3.1.0]hexa-1,3-diene [ACD/Index Name] [ACD/IUPAC Name]
2,4,6-Triazabicyclo[3.1.0]hexa-1,3-diène [French] [ACD/IUPAC Name]
dihydroazirenoimidazole

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

Density: 2.2±0.1 g/cm3
Boiling Point: 126.5±23.0 °C at 760 mmHg
Vapour Pressure: 11.6±0.2 mmHg at 25°C
Enthalpy of Vaporization: 36.4±3.0 kJ/mol
Flash Point: 30.3±22.6 °C
Index of Refraction: 2.153
Molar Refractivity: 20.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -2.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 8.1±0.5 10-24cm3
Surface Tension: 106.9±7.0 dyne/cm
Molar Volume: 37.3±7.0 cm3

Click to predict properties on the Chemicalize site


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