ChemSpider 2D Image | 6-Methyl-9,10-didehydroergoline-8-carboxamide | C16H17N3O

6-Methyl-9,10-didehydroergoline-8-carboxamide

  • Molecular FormulaC16H17N3O
  • Average mass267.326 Da
  • Monoisotopic mass267.137177 Da
  • ChemSpider ID68703141

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

6-Methyl-9,10-didehydroergolin-8-carboxamid [German] [ACD/IUPAC Name]
6-Methyl-9,10-didehydroergoline-8-carboxamide [ACD/IUPAC Name]
6-Méthyl-9,10-didéhydroergoline-8-carboxamide [French] [ACD/IUPAC Name]
Ergoline-8-carboxamide, 9,10-didehydro-6-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 572.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 299.9±30.1 °C
Index of Refraction: 1.721
Molar Refractivity: 78.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.88
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 5.51
ACD/KOC (pH 7.4): 99.61
Polar Surface Area: 62 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 198.3±5.0 cm3

Click to predict properties on the Chemicalize site


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