ChemSpider 2D Image | (4aS,7S,7aR,12bR)-4,4a,7,7a-Tetramethyl-11-(methylamino)-1,2,4a,5,6,7,7a,8-octahydrobenzo[d]fluorene-9,12-dione | C22H29NO2

(4aS,7S,7aR,12bR)-4,4a,7,7a-Tetramethyl-11-(methylamino)-1,2,4a,5,6,7,7a,8-octahydrobenzo[d]fluorene-9,12-dione

  • Molecular FormulaC22H29NO2
  • Average mass339.471 Da
  • Monoisotopic mass339.219818 Da
  • ChemSpider ID44210821

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aS,7S,7aR,12bR)-4,4a,7,7a-Tetramethyl-11-(methylamino)-1,2,4a,5,6,7,7a,8-octahydrobenzo[d]fluoren-9,12-dion [German] [ACD/IUPAC Name]
(4aS,7S,7aR,12bR)-4,4a,7,7a-Tetramethyl-11-(methylamino)-1,2,4a,5,6,7,7a,8-octahydrobenzo[d]fluorene-9,12-dione [ACD/IUPAC Name]
(4aS,7S,7aR,12bR)-4,4a,7,7a-Tétraméthyl-11-(méthylamino)-1,2,4a,5,6,7,7a,8-octahydrobenzo[d]fluorène-9,12-dione [French] [ACD/IUPAC Name]
Benzo[d]fluorene-9,12-dione, 1,2,4a,5,6,7,7a,8-octahydro-4,4a,7,7a-tetramethyl-11-(methylamino)-, (4aS,7S,7aR,12bR)- [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: 465.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 141.8±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: 5.78
ACD/LogD (pH 5.5): 5.56
ACD/BCF (pH 5.5): 9902.40
ACD/KOC (pH 5.5): 25213.56
ACD/LogD (pH 7.4): 5.56
ACD/BCF (pH 7.4): 9910.86
ACD/KOC (pH 7.4): 25235.08
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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