ChemSpider 2D Image | 5-Azatricyclo[5.1.0.0~2,4~]octa-1,4,6-triene | C7H5N

5-Azatricyclo[5.1.0.02,4]octa-1,4,6-triene

  • Molecular FormulaC7H5N
  • Average mass103.121 Da
  • Monoisotopic mass103.042198 Da
  • ChemSpider ID24184787

More details:

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

5-Azatricyclo[5.1.0.02,4]octa-1,4,6-trien [German] [ACD/IUPAC Name]
5-Azatricyclo[5.1.0.02,4]octa-1,4,6-triene [ACD/Index Name] [ACD/IUPAC Name]
5-Azatricyclo[5.1.0.02,4]octa-1,4,6-triène [French] [ACD/IUPAC Name]
441798-61-4 [RN]
5-azatricyclo[5.1.0.02,4]octa-1,4,6-triene
5-Azatricyclo[5.1.0.02,4]octa-1,4,6-triene (9CI)

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

Density: 1.5±0.1 g/cm3
Boiling Point: 248.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.6±3.0 kJ/mol
Flash Point: 113.0±10.9 °C
Index of Refraction: 1.814
Molar Refractivity: 30.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.84
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.96
ACD/KOC (pH 7.4): 75.05
Polar Surface Area: 13 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 87.4±3.0 dyne/cm
Molar Volume: 69.9±3.0 cm3

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