ChemSpider 2D Image | (5aS,12aR,12bS)-12a-Ethyl-1,2,3,5,5a,11,12,12a-octahydro-4H,10H-3a,9b-diazaindeno[7,1-jk]fluoren-10-one | C19H24N2O

(5aS,12aR,12bS)-12a-Ethyl-1,2,3,5,5a,11,12,12a-octahydro-4H,10H-3a,9b-diazaindeno[7,1-jk]fluoren-10-one

  • Molecular FormulaC19H24N2O
  • Average mass296.407 Da
  • Monoisotopic mass296.188873 Da
  • ChemSpider ID74178959

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5aS,12aR,12bS)-12a-Ethyl-1,2,3,5,5a,11,12,12a-octahydro-4H,10H-3a,9b-diazaindeno[7,1-jk]fluoren-10-on [German] [ACD/IUPAC Name]
(5aS,12aR,12bS)-12a-Ethyl-1,2,3,5,5a,11,12,12a-octahydro-4H,10H-3a,9b-diazaindeno[7,1-jk]fluoren-10-one [ACD/IUPAC Name]
(5aS,12aR,12bS)-12a-Éthyl-1,2,3,5,5a,11,12,12a-octahydro-4H,10H-3a,9b-diazaindéno[7,1-jk]fluorén-10-one [French] [ACD/IUPAC Name]
5H,12H-Benz[b]indolizino[8,1-hi]indolizin-12-one, 14a-ethyl-1,2,3,6,6a,13,14,14a-octahydro-, (6aS,14aR,14bS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 443.4±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 191.2±18.0 °C
Index of Refraction: 1.646
Molar Refractivity: 86.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 11.89
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 75.90
ACD/KOC (pH 7.4): 564.42
Polar Surface Area: 24 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 238.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement