ChemSpider 2D Image | 6,8-Dimethylergolin-9-ol | C16H20N2O

6,8-Dimethylergolin-9-ol

  • Molecular FormulaC16H20N2O
  • Average mass256.343 Da
  • Monoisotopic mass256.157562 Da
  • ChemSpider ID35013159

More details:

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

6,8-Dimethylergolin-9-ol [ACD/IUPAC Name]
6,8-Dimethylergolin-9-ol [German] [ACD/IUPAC Name]
6,8-Diméthylergolin-9-ol [French] [ACD/IUPAC Name]
Ergolin-9-ol, 6,8-dimethyl- [ACD/Index Name]
(-)-Fumigaclavine B
4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0�,7.0��,�6]hexadeca-1(16),9,12,14-tetraen-3-ol
fumigaclavine B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 481.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 244.8±28.7 °C
Index of Refraction: 1.652
Molar Refractivity: 77.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.40
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 22.83
ACD/KOC (pH 7.4): 246.31
Polar Surface Area: 39 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 211.0±3.0 cm3

Click to predict properties on the Chemicalize site


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