ChemSpider 2D Image | 1,5,9-Triazapentacyclo[5.3.0.0~2,6~.0~3,9~.0~4,8~]deca-2,4,6-triene | C7H3N3

1,5,9-Triazapentacyclo[5.3.0.02,6.03,9.04,8]deca-2,4,6-triene

  • Molecular FormulaC7H3N3
  • Average mass129.119 Da
  • Monoisotopic mass129.032700 Da
  • ChemSpider ID29779227

More details:

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

1,5,9-Triazapentacyclo[5.3.0.02,6.03,9.04,8]deca-2,4,6-trien [German] [ACD/IUPAC Name]
1,5,9-Triazapentacyclo[5.3.0.02,6.03,9.04,8]deca-2,4,6-triene [ACD/IUPAC Name]
1,5,9-Triazapentacyclo[5.3.0.02,6.03,9.04,8]déca-2,4,6-triène [French] [ACD/IUPAC Name]
2H-1,3,4-Metheno-1a,3,5-triazacyclobuta[cd]pentalene [ACD/Index Name]
123292-81-9 [RN]
4H-1,3,4a-triaza-2,3,5-(epimethanetriyl)cyclobuta[cd]pentalene

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

Density: 4.5±0.1 g/cm3
Boiling Point: 309.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.0±3.0 kJ/mol
Flash Point: 140.7±27.9 °C
Index of Refraction:
Molar Refractivity: 33.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.13
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 19 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 541.3±7.0 dyne/cm
Molar Volume: 28.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement