Found 1 result

Search term: GWBMSBJEYROQOE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-[(2-Phenylethyl)amino]-5-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]methyl}-1,4-benzoquinone | C29H37NO2

2-[(2-Phenylethyl)amino]-5-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]methyl}-1,4-benzoquinone

  • Molecular FormulaC29H37NO2
  • Average mass431.610 Da
  • Monoisotopic mass431.282440 Da
  • ChemSpider ID32674830

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,5-Cyclohexadiene-1,4-dione, 2-[[(1R,2S,4aS,8aS)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]methyl]-5-[(2-phenylethyl)amino]- [ACD/Index Name]
2-[(2-Phényléthyl)amino]-5-{[(1R,2S,4aS,8aS)-1,2,4a,5-tétraméthyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphtalényl]méthyl}-1,4-benzoquinone [French] [ACD/IUPAC Name]
2-[(2-Phenylethyl)amino]-5-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]methyl}-1,4-benzoquinone [ACD/IUPAC Name]
2-[(2-Phenylethyl)amino]-5-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalinyl]methyl}-1,4-benzochinon [German] [ACD/IUPAC Name]
dysidaminone G

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

Density: 1.1±0.1 g/cm3
Boiling Point: 554.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 137.9±30.3 °C
Index of Refraction: 1.579
Molar Refractivity: 130.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.61
ACD/LogD (pH 5.5): 7.83
ACD/BCF (pH 5.5): 527601.75
ACD/KOC (pH 5.5): 434106.81
ACD/LogD (pH 7.4): 7.83
ACD/BCF (pH 7.4): 527608.75
ACD/KOC (pH 7.4): 434112.53
Polar Surface Area: 46 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 391.4±5.0 cm3

Click to predict properties on the Chemicalize site


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