ChemSpider 2D Image | (8beta)-1-(Cyclopropylcarbonyl)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide | C24H29N3O2

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

  • Molecular FormulaC24H29N3O2
  • Average mass391.506 Da
  • Monoisotopic mass391.225983 Da
  • ChemSpider ID107450612

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8β)-1-(Cyclopropylcarbonyl)-N,N-diethyl-6-methyl-9,10-didehydroergolin-8-carboxamid [German] [ACD/IUPAC Name]
(8β)-1-(Cyclopropylcarbonyl)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide [ACD/IUPAC Name]
(8β)-1-(Cyclopropylcarbonyl)-N,N-diéthyl-6-méthyl-9,10-didéhydroergoline-8-carboxamide [French] [ACD/IUPAC Name]
Ergoline-8-carboxamide, 1-(cyclopropylcarbonyl)-9,10-didehydro-N,N-diethyl-6-methyl-, (8β)- [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: 590.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.7±30.1 °C
Index of Refraction: 1.679
Molar Refractivity: 113.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 11.57
ACD/KOC (pH 5.5): 88.78
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 168.50
ACD/KOC (pH 7.4): 1293.08
Polar Surface Area: 46 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 300.5±7.0 cm3

Click to predict properties on the Chemicalize site


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