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

(8β)-N-(2-Hexanyl)-6-methyl-9,10-didehydroergoline-8-carboxamide

  • Molecular FormulaC22H29N3O
  • Average mass351.485 Da
  • Monoisotopic mass351.231049 Da
  • ChemSpider ID23240253

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(8β)-N-(2-Hexanyl)-6-methyl-9,10-didehydroergolin-8-carboxamid [German] [ACD/IUPAC Name]
(8β)-N-(2-Hexanyl)-6-methyl-9,10-didehydroergoline-8-carboxamide [ACD/IUPAC Name]
(8β)-N-(2-Hexanyl)-6-méthyl-9,10-didéhydroergoline-8-carboxamide [French] [ACD/IUPAC Name]
(8β)-N-(hexan-2-yl)-6-methyl-9,10-didehydroergoline-8-carboxamide
Ergoline-8-carboxamide, 9,10-didehydro-6-methyl-N-(1-methylpentyl)-, (8β)- [ACD/Index Name]
(6aR,9R)-7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-methyl-pentyl)-amide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 594.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.4±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 106.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 6.19
ACD/KOC (pH 5.5): 37.48
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 234.95
ACD/KOC (pH 7.4): 1422.24
Polar Surface Area: 48 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 300.2±5.0 cm3

Click to predict properties on the Chemicalize site


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