ChemSpider 2D Image | 2,3,4,5,6,7-Hexahydro-1H-3a,8,13,13b-tetraazabenzo[b]cyclohepta[1,2,3-jk]fluorene | C17H18N4

2,3,4,5,6,7-Hexahydro-1H-3a,8,13,13b-tetraazabenzo[b]cyclohepta[1,2,3-jk]fluorene

  • Molecular FormulaC17H18N4
  • Average mass278.352 Da
  • Monoisotopic mass278.153137 Da
  • ChemSpider ID21151928

More details:

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

1H-3a,8,13,13b-Tetraazabenzo[b]cyclohepta[jk]fluorene, 2,3,4,5,6,7-hexahydro- [ACD/Index Name]
2,3,4,5,6,7-Hexahydro-1H-3a,8,13,13b-tetraazabenzo[b]cyclohepta[1,2,3-jk]fluoren [German] [ACD/IUPAC Name]
2,3,4,5,6,7-Hexahydro-1H-3a,8,13,13b-tetraazabenzo[b]cyclohepta[1,2,3-jk]fluorene [ACD/IUPAC Name]
2,3,4,5,6,7-Hexahydro-1H-3a,8,13,13b-tétraazabenzo[b]cyclohepta[1,2,3-jk]fluorène [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 538.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.4±28.7 °C
Index of Refraction: 1.786
Molar Refractivity: 82.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 497.98
ACD/KOC (pH 5.5): 2640.88
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 745.10
ACD/KOC (pH 7.4): 3951.39
Polar Surface Area: 34 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 194.7±7.0 cm3

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