ChemSpider 2D Image | (4aS,6aR,11aS,11bR)-4,4a,6a,11a-Tetramethyl-8-(methylamino)-2,4a,5,6,6a,11,11a,11b-octahydro-1H-benzo[a]fluorene-7,10-dione | C22H29NO2

(4aS,6aR,11aS,11bR)-4,4a,6a,11a-Tetramethyl-8-(methylamino)-2,4a,5,6,6a,11,11a,11b-octahydro-1H-benzo[a]fluorene-7,10-dione

  • Molecular FormulaC22H29NO2
  • Average mass339.471 Da
  • Monoisotopic mass339.219818 Da
  • ChemSpider ID35516639

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aS,6aR,11aS,11bR)-4,4a,6a,11a-Tetramethyl-8-(methylamino)-2,4a,5,6,6a,11,11a,11b-octahydro-1H-benzo[a]fluoren-7,10-dion [German] [ACD/IUPAC Name]
(4aS,6aR,11aS,11bR)-4,4a,6a,11a-Tetramethyl-8-(methylamino)-2,4a,5,6,6a,11,11a,11b-octahydro-1H-benzo[a]fluorene-7,10-dione [ACD/IUPAC Name]
(4aS,6aR,11aS,11bR)-4,4a,6a,11a-Tétraméthyl-8-(méthylamino)-2,4a,5,6,6a,11,11a,11b-octahydro-1H-benzo[a]fluorène-7,10-dione [French] [ACD/IUPAC Name]
1H-Benzo[a]fluorene-7,10-dione, 2,4a,5,6,6a,11,11a,11b-octahydro-4,4a,6a,11a-tetramethyl-8-(methylamino)-, (4aS,6aR,11aS,11bR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 451.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 134.4±28.9 °C
Index of Refraction: 1.576
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7304.31
ACD/KOC (pH 5.5): 20278.71
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7310.20
ACD/KOC (pH 7.4): 20295.05
Polar Surface Area: 46 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 297.5±5.0 cm3

Click to predict properties on the Chemicalize site


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