ChemSpider 2D Image | (8beta)-N,N-Diethyl-6-isopropyl-9,10-didehydroergoline-8-carboxamide | C22H29N3O

(8β)-N,N-Diethyl-6-isopropyl-9,10-didehydroergoline-8-carboxamide

  • Molecular FormulaC22H29N3O
  • Average mass351.485 Da
  • Monoisotopic mass351.231049 Da
  • ChemSpider ID23120596

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8β)-N,N-diethyl-6-(propan-2-yl)-9,10-didehydroergoline-8-carboxamide
(8β)-N,N-Diethyl-6-isopropyl-9,10-didehydroergolin-8-carboxamid [German] [ACD/IUPAC Name]
(8β)-N,N-Diethyl-6-isopropyl-9,10-didehydroergoline-8-carboxamide [ACD/IUPAC Name]
(8β)-N,N-Diéthyl-6-isopropyl-9,10-didéhydroergoline-8-carboxamide [French] [ACD/IUPAC Name]
Ergoline-8-carboxamide, 9,10-didehydro-N,N-diethyl-6-(1-methylethyl)-, (8β)- [ACD/Index Name]
7-Isopropyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid diethylamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 553.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.3±30.1 °C
Index of Refraction: 1.631
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 3.49
ACD/KOC (pH 5.5): 22.78
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 150.60
ACD/KOC (pH 7.4): 981.94
Polar Surface Area: 39 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 299.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement