ChemSpider 2D Image | Diallyllysergamide | C22H25N3O

Diallyllysergamide

  • Molecular FormulaC22H25N3O
  • Average mass347.453 Da
  • Monoisotopic mass347.199768 Da
  • ChemSpider ID21106294

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8β)-N,N-Diallyl-6-methyl-9,10-didehydroergolin-8-carboxamid [German] [ACD/IUPAC Name]
(8β)-N,N-Diallyl-6-methyl-9,10-didehydroergoline-8-carboxamide [ACD/IUPAC Name]
(8β)-N,N-Diallyl-6-méthyl-9,10-didéhydroergoline-8-carboxamide [French] [ACD/IUPAC Name]
Diallyllysergamide [Wiki]
Ergoline-8-carboxamide, 9,10-didehydro-6-methyl-N,N-di-2-propen-1-yl-, (8β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 561.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.6±30.1 °C
Index of Refraction: 1.655
Molar Refractivity: 106.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 5.71
ACD/KOC (pH 5.5): 38.46
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 186.43
ACD/KOC (pH 7.4): 1256.33
Polar Surface Area: 39 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 289.0±5.0 cm3

Click to predict properties on the Chemicalize site


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