ChemSpider 2D Image | 6,8-Dimethyl-6,7,8,9-tetradehydroergolin-6-ium | C16H17N2

6,8-Dimethyl-6,7,8,9-tetradehydroergolin-6-ium

  • Molecular FormulaC16H17N2
  • Average mass237.319 Da
  • Monoisotopic mass237.138626 Da
  • ChemSpider ID28184754

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

6,8-Dimethyl-6,7,8,9-tetradehydroergolin-6-ium [German] [ACD/IUPAC Name]
6,8-Dimethyl-6,7,8,9-tetradehydroergolin-6-ium [ACD/IUPAC Name]
6,8-Diméthyl-6,7,8,9-tétradéhydroergolin-6-ium [French] [ACD/IUPAC Name]
Ergolin-6-ium, 6,7,8,9-tetradehydro-6,8-dimethyl- [ACD/Index Name]
(2R,7R)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),3,5,9,12,14-hexaen-6-ium
6,7-didehydroagroclavine
didehydroagroclavine
  • Miscellaneous

    • Chemical Class:

      A cationic ergot alkaloid that is the 6,8-dimethyl-6,7,8,9-tetradehydro derivative of ergoline. ChEBI CHEBI:65036

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 19 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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