ChemSpider 2D Image | (8beta)-6,8-Dimethylergolin-6-ium | C16H21N2

(8β)-6,8-Dimethylergolin-6-ium

  • Molecular FormulaC16H21N2
  • Average mass241.351 Da
  • Monoisotopic mass241.169922 Da
  • ChemSpider ID28184759

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(8β)-6,8-Dimethylergolin-6-ium [German] [ACD/IUPAC Name]
(8β)-6,8-Dimethylergolin-6-ium [ACD/IUPAC Name]
(8β)-6,8-Diméthylergolin-6-ium [French] [ACD/IUPAC Name]
Ergoline, 6,8-dimethyl-, conjugate monoacid, (8β)- [ACD/Index Name]
Festuclavine [Wiki]
festuclavine(1+)
festuclavinium(1+)
  • Miscellaneous

    • Chemical Class:

      An organic cation obtained by deprotonation of the tertiary amino group of festuclavine; major species at pH 7.3. ChEBI CHEBI:65045

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

Density:
Boiling Point: 407.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 200.2±25.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.43
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 18.39
ACD/KOC (pH 7.4): 120.44
Polar Surface Area: 20 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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