ChemSpider 2D Image | 1,1-Diethyl-3-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea | C20H26N4O

1,1-Diethyl-3-[(8α)-6-methyl-9,10-didehydroergolin-8-yl]urea

  • Molecular FormulaC20H26N4O
  • Average mass338.447 Da
  • Monoisotopic mass338.210663 Da
  • ChemSpider ID57425896

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1,1-Diethyl-3-[(8α)-6-methyl-9,10-didehydroergolin-8-yl]harnstoff [German] [ACD/IUPAC Name]
1,1-Diethyl-3-[(8α)-6-methyl-9,10-didehydroergolin-8-yl]urea [ACD/IUPAC Name]
1,1-Diéthyl-3-[(8α)-6-méthyl-9,10-didéhydroergolin-8-yl]urée [French] [ACD/IUPAC Name]
Urea, N'-[(8α)-9,10-didehydro-6-methylergolin-8-yl]-N,N-diethyl- [ACD/Index Name]
(+)-(5R,8S)-Lisuride
1,1-Diethyl-3-((6aR,9S)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)urea
18016-80-3 [RN]
N'-[(8a)-9,10-Didehydro-6-methylergolin-8-yl]-N,N-diethylurea

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.7±31.5 °C
Index of Refraction: 1.659
Molar Refractivity: 100.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.76
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 22.67
ACD/KOC (pH 7.4): 186.52
Polar Surface Area: 51 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 273.6±5.0 cm3

Click to predict properties on the Chemicalize site


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