ChemSpider 2D Image | Lysergic acid 2,4-dimethylazetidide | C21H25N3O

Lysergic acid 2,4-dimethylazetidide

  • Molecular FormulaC21H25N3O
  • Average mass335.443 Da
  • Monoisotopic mass335.199768 Da
  • ChemSpider ID30773535

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,4S)-1-[[(8β)-9,10-Didehydro-6-methylergolin-8-yl]carbonyl]-2,4-dimethylazetidine
[(2S,4S)-2,4-Dimethyl-1-azetidinyl][(8β)-6-methyl-9,10-didehydroergolin-8-yl]methanon [German] [ACD/IUPAC Name]
[(2S,4S)-2,4-Dimethyl-1-azetidinyl][(8β)-6-methyl-9,10-didehydroergolin-8-yl]methanone [ACD/IUPAC Name]
[(2S,4S)-2,4-Diméthyl-1-azétidinyl][(8β)-6-méthyl-9,10-didéhydroergolin-8-yl]méthanone [French] [ACD/IUPAC Name]
470666-31-0 [RN]
LA-SS-Az
LSZ
Lysergic acid 2,4-dimethylazetidide [Wiki]
Methanone, [(8β)-9,10-didehydro-6-methylergolin-8-yl][(2S,4S)-2,4-dimethyl-1-azetidinyl]- [ACD/Index Name]
[(2S, 4S)-2,4-dimethylacetidin-1-yl][(8b)-6-methyl-9,10-didehydroergol-8-yl]methanone [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 565.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 295.6±30.1 °C
Index of Refraction: 1.678
Molar Refractivity: 99.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 3.82
ACD/KOC (pH 5.5): 27.07
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 140.05
ACD/KOC (pH 7.4): 992.74
Polar Surface Area: 39 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 264.6±5.0 cm3

Click to predict properties on the Chemicalize site


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