ChemSpider 2D Image | (8beta)-N,N-Diethyl-6-(~3~H_3_)methyl-9,10-didehydroergoline-8-carboxamide | C20H22T3N3O

(8β)-N,N-Diethyl-6-(3H3)methyl-9,10-didehydroergoline-8-carboxamide

  • Molecular FormulaC20H22T3N3O
  • Average mass329.456 Da
  • Monoisotopic mass329.224426 Da
  • ChemSpider ID23326583

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8β)-N,N-Diethyl-6-(3H3)methyl-9,10-didehydroergolin-8-carboxamid [German] [ACD/IUPAC Name]
(8β)-N,N-Diethyl-6-(3H3)methyl-9,10-didehydroergoline-8-carboxamide [ACD/IUPAC Name]
(8β)-N,N-Diéthyl-6-(3H3)méthyl-9,10-didéhydroergoline-8-carboxamide [French] [ACD/IUPAC Name]
Ergoline-8-carboxamide, 9,10-didehydro-N,N-diethyl-6-(methyl-t3)-, (8β)- [ACD/Index Name]
(4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,9,12(16),13-pentaene-4-carboxamide
(6aR,9R)-N,N-diethyl-7-(tritritiomethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
[3H]LSD
[3H]lysergic acid diethylamide
[3H]lysergic acid diethylamide|[3H]lysergide|[3H]N,N-diethyllysergamide
[3H]lysergide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 541.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.2±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 10.52
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 45.82
ACD/KOC (pH 7.4): 429.59
Polar Surface Area: 39 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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