ChemSpider 2D Image | Lysergic acid hydroxyethylamide | C18H21N3O2

Lysergic acid hydroxyethylamide

  • Molecular FormulaC18H21N3O2
  • Average mass311.378 Da
  • Monoisotopic mass311.163391 Da
  • ChemSpider ID27470958
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(8β)-N-[(1S)-1-Hydroxyethyl]-6-methyl-9,10-didehydroergolin-8-carboxamid [German] [ACD/IUPAC Name]
(8β)-N-[(1S)-1-Hydroxyethyl]-6-methyl-9,10-didehydroergoline-8-carboxamide [ACD/IUPAC Name]
(8β)-N-[(1S)-1-Hydroxyéthyl]-6-méthyl-9,10-didéhydroergoline-8-carboxamide [French] [ACD/IUPAC Name]
D-lysergic acid methyl carbinolamide
D-Lysergic acid α-hydroxyethylamide
Ergoline-8-carboxamide, 9,10-didehydro-N-[(1S)-1-hydroxyethyl]-6-methyl-, (8β)- [ACD/Index Name]
Lysergic acid hydroxyethylamide [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 620.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 328.9±31.5 °C
Index of Refraction: 1.693
Molar Refractivity: 89.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.34
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 4.64
ACD/KOC (pH 7.4): 86.45
Polar Surface Area: 68 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 232.8±5.0 cm3

Click to predict properties on the Chemicalize site





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