ChemSpider 2D Image | (8beta)-N-(2-Heptanyl)-6-methyl-9,10-didehydroergoline-8-carboxamide | C23H31N3O

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

  • Molecular FormulaC23H31N3O
  • Average mass365.512 Da
  • Monoisotopic mass365.246704 Da
  • ChemSpider ID23240347

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(8β)-N-(2-Heptanyl)-6-methyl-9,10-didehydroergolin-8-carboxamid [German] [ACD/IUPAC Name]
(8β)-N-(2-Heptanyl)-6-methyl-9,10-didehydroergoline-8-carboxamide [ACD/IUPAC Name]
(8β)-N-(2-Heptanyl)-6-méthyl-9,10-didéhydroergoline-8-carboxamide [French] [ACD/IUPAC Name]
(8β)-N-(heptan-2-yl)-6-methyl-9,10-didehydroergoline-8-carboxamide
Ergoline-8-carboxamide, 9,10-didehydro-6-methyl-N-(1-methylhexyl)-, (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-hexyl)-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: 602.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 318.0±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 110.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 23.39
ACD/KOC (pH 5.5): 96.75
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 891.54
ACD/KOC (pH 7.4): 3688.50
Polar Surface Area: 48 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 316.3±5.0 cm3

Click to predict properties on the Chemicalize site


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