ChemSpider 2D Image | (8beta)-1-Butyryl-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide | C24H31N3O2

(8β)-1-Butyryl-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide

  • Molecular FormulaC24H31N3O2
  • Average mass393.522 Da
  • Monoisotopic mass393.241638 Da
  • ChemSpider ID82827098

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8β)-1-Butyryl-N,N-diethyl-6-methyl-9,10-didehydroergolin-8-carboxamid [German] [ACD/IUPAC Name]
(8β)-1-Butyryl-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide [ACD/IUPAC Name]
(8β)-1-Butyryl-N,N-diéthyl-6-méthyl-9,10-didéhydroergoline-8-carboxamide [French] [ACD/IUPAC Name]
Ergoline-8-carboxamide, 9,10-didehydro-N,N-diethyl-6-methyl-1-(1-oxobutyl)-, (8β)- [ACD/Index Name]
2349376-12-9 [RN]
Unii-Y6jqx3L6LP

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.2±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: 1.624
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 24.64
ACD/KOC (pH 5.5): 153.47
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 352.51
ACD/KOC (pH 7.4): 2195.79
Polar Surface Area: 46 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 328.1±7.0 cm3

Click to predict properties on the Chemicalize site


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