ChemSpider 2D Image | (12aR)-12a-Ethyl-1,2,3,11,12,12a-hexahydro-4H,10H-3a,9b-diazaindeno[7,1-jk]fluorene-4,10-dione | C19H20N2O2

(12aR)-12a-Ethyl-1,2,3,11,12,12a-hexahydro-4H,10H-3a,9b-diazaindeno[7,1-jk]fluorene-4,10-dione

  • Molecular FormulaC19H20N2O2
  • Average mass308.374 Da
  • Monoisotopic mass308.152466 Da
  • ChemSpider ID24664424
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(12aR)-12a-Ethyl-1,2,3,11,12,12a-hexahydro-4H,10H-3a,9b-diazaindeno[7,1-jk]fluoren-4,10-dion [German] [ACD/IUPAC Name]
(12aR)-12a-Ethyl-1,2,3,11,12,12a-hexahydro-4H,10H-3a,9b-diazaindeno[7,1-jk]fluorene-4,10-dione [ACD/IUPAC Name]
(12aR)-12a-Éthyl-1,2,3,11,12,12a-hexahydro-4H,10H-3a,9b-diazaindéno[7,1-jk]fluorène-4,10-dione [French] [ACD/IUPAC Name]
5H,12H-Benz[b]indolizino[8,1-hi]indolizine-5,12-dione, 14a-ethyl-1,2,3,13,14,14a-hexahydro-, (14aR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 568.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 277.3±22.5 °C
Index of Refraction: 1.682
Molar Refractivity: 86.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 64.76
ACD/KOC (pH 5.5): 688.87
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 64.76
ACD/KOC (pH 7.4): 688.88
Polar Surface Area: 41 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 228.2±5.0 cm3

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