ChemSpider 2D Image | (8alpha)-N-[3-(Dimethylamino)propyl]-N-(ethylcarbamoyl)-6-[(~2~H_5_)-2-propen-1-yl]ergoline-8-carboxamide | C26H32D5N5O2

(8α)-N-[3-(Dimethylamino)propyl]-N-(ethylcarbamoyl)-6-[(2H5)-2-propen-1-yl]ergoline-8-carboxamide

  • Molecular FormulaC26H32D5N5O2
  • Average mass456.635 Da
  • Monoisotopic mass456.326111 Da
  • ChemSpider ID77498402

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8α)-N-[3-(Dimethylamino)propyl]-N-(ethylcarbamoyl)-6-[(2H5)-2-propen-1-yl]ergolin-8-carboxamid [German] [ACD/IUPAC Name]
(8α)-N-[3-(Dimethylamino)propyl]-N-(ethylcarbamoyl)-6-[(2H5)-2-propen-1-yl]ergoline-8-carboxamide [ACD/IUPAC Name]
(8α)-N-[3-(Diméthylamino)propyl]-N-(éthylcarbamoyl)-6-[(2H5)-2-propén-1-yl]ergoline-8-carboxamide [French] [ACD/IUPAC Name]
Ergoline-8-carboxamide, N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-(2-propen-1-yl-d5)-, (8α)- [ACD/Index Name]
1426173-20-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.594
Molar Refractivity: 132.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 2.82
ACD/KOC (pH 7.4): 21.42
Polar Surface Area: 72 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 390.4±3.0 cm3

Click to predict properties on the Chemicalize site


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