ChemSpider 2D Image | 2,6-Diisopropylhexahydro-1H,5H-2,3a,4a,6,7a,8a-hexaazacyclopenta[def]fluorene-4,8-dione | C14H24N6O2

2,6-Diisopropylhexahydro-1H,5H-2,3a,4a,6,7a,8a-hexaazacyclopenta[def]fluorene-4,8-dione

  • Molecular FormulaC14H24N6O2
  • Average mass308.379 Da
  • Monoisotopic mass308.196075 Da
  • ChemSpider ID21128281

More details:

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

1H,4H,5H,8H-2,3a,4a,6,7a,8a-Hexaazacyclopenta[def]fluorene-4,8-dione, hexahydro-2,6-bis(1-methylethyl)- [ACD/Index Name]
2,6-Diisopropylhexahydro-1H,5H-2,3a,4a,6,7a,8a-hexaazacyclopenta[def]fluoren-4,8-dion [German] [ACD/IUPAC Name]
2,6-Diisopropylhexahydro-1H,5H-2,3a,4a,6,7a,8a-hexaazacyclopenta[def]fluorene-4,8-dione [ACD/IUPAC Name]
2,6-Diisopropylhexahydro-1H,5H-2,3a,4a,6,7a,8a-hexaazacyclopenta[def]fluorène-4,8-dione [French] [ACD/IUPAC Name]
2,6-diisopropylhexahydro-2,3a,4a,6,7a,8a-hexa-azacyclopenta[def]fluorene-4,8(1h,5h)-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 418.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 176.1±21.1 °C
Index of Refraction: 1.670
Molar Refractivity: 82.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 2.84
ACD/KOC (pH 7.4): 50.72
Polar Surface Area: 54 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 219.7±5.0 cm3

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