ChemSpider 2D Image | 2-Cyano-3-[(8alpha)-6-methylergolin-8-yl]propanamide | C19H22N4O

2-Cyano-3-[(8α)-6-methylergolin-8-yl]propanamide

  • Molecular FormulaC19H22N4O
  • Average mass322.404 Da
  • Monoisotopic mass322.179352 Da
  • ChemSpider ID57523431

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Cyan-3-[(8α)-6-methylergolin-8-yl]propanamid [German] [ACD/IUPAC Name]
2-Cyano-3-[(8α)-6-methylergolin-8-yl]propanamide [ACD/IUPAC Name]
2-Cyano-3-[(8α)-6-méthylergolin-8-yl]propanamide [French] [ACD/IUPAC Name]
Propanamide, 2-cyano-3-[(8α)-6-methylergolin-8-yl]- [ACD/Index Name]
88133-17-9 [RN]
Ergoline-8-α-propionamide, α-cyano-6-methyl-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 612.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.2±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.17
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: 86 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 259.1±3.0 cm3

Click to predict properties on the Chemicalize site


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