ChemSpider 2D Image | 6,8-Dimethyl-8,9-epoxyergoline | C16H18N2O

6,8-Dimethyl-8,9-epoxyergoline

  • Molecular FormulaC16H18N2O
  • Average mass254.327 Da
  • Monoisotopic mass254.141907 Da
  • ChemSpider ID78444730

More details:

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

6,8-Dimethyl-8,9-epoxyergolin [German] [ACD/IUPAC Name]
6,8-Dimethyl-8,9-epoxyergoline [ACD/IUPAC Name]
6,8-Diméthyl-8,9-époxyergoline [French] [ACD/IUPAC Name]
Ergoline, 8,9-epoxy-6,8-dimethyl- [ACD/Index Name]
Epoxyagroclavine I

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

Density: 1.3±0.1 g/cm3
Boiling Point: 433.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 216.0±28.7 °C
Index of Refraction: 1.681
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.79
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 5.28
ACD/KOC (pH 7.4): 40.02
Polar Surface Area: 32 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 198.5±3.0 cm3

Click to predict properties on the Chemicalize site


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