ChemSpider 2D Image | (8beta)-N,6-Dimethyl-9,10-didehydroergoline-8-carboxamide | C17H19N3O

(8β)-N,6-Dimethyl-9,10-didehydroergoline-8-carboxamide

  • Molecular FormulaC17H19N3O
  • Average mass281.352 Da
  • Monoisotopic mass281.152802 Da
  • ChemSpider ID21161369

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8β)-N,6-Dimethyl-9,10-didehydroergolin-8-carboxamid [German] [ACD/IUPAC Name]
(8β)-N,6-Dimethyl-9,10-didehydroergoline-8-carboxamide [ACD/IUPAC Name]
(8β)-N,6-Diméthyl-9,10-didéhydroergoline-8-carboxamide [French] [ACD/IUPAC Name]
256-601-5 [EINECS]
50485-06-8 [RN]
Ergoline-8-carboxamide, 9,10-didehydro-N,6-dimethyl-, (8β)-
Ergoline-8-carboxamide, 9,10-didehydro-N,6-dimethyl-, (8β)- [ACD/Index Name]
9,10-didehydro-N,6-dimethylergoline-8β-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 573.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.5±30.1 °C
Index of Refraction: 1.685
Molar Refractivity: 83.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.71
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 11.13
ACD/KOC (pH 7.4): 174.37
Polar Surface Area: 48 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 218.6±5.0 cm3

Click to predict properties on the Chemicalize site


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