ChemSpider 2D Image | (5alpha,8alpha)-6-Methyl-N-(~2~H_3_)methyl-N-propyl-1,9,10,15-tetradehydro-14,15-dihydroergoline-8-carboxamide | C20H22D3N3O

(5α,8α)-6-Methyl-N-(2H3)methyl-N-propyl-1,9,10,15-tetradehydro-14,15-dihydroergoline-8-carboxamide

  • Molecular FormulaC20H22D3N3O
  • Average mass326.451 Da
  • Monoisotopic mass326.218597 Da
  • ChemSpider ID111314230

  • 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

(5α,8α)-6-Methyl-N-(2H3)methyl-N-propyl-1,9,10,15-tetradehydro-14,15-dihydroergolin-8-carboxamid [German] [ACD/IUPAC Name]
(5α,8α)-6-Methyl-N-(2H3)methyl-N-propyl-1,9,10,15-tetradehydro-14,15-dihydroergoline-8-carboxamide [ACD/IUPAC Name]
(5α,8α)-6-Méthyl-N-(2H3)méthyl-N-propyl-1,9,10,15-tétradéhydro-14,15-dihydroergoline-8-carboxamide [French] [ACD/IUPAC Name]
Ergoline-8-carboxamide, 1,9,10,15-tetradehydro-14,15-dihydro-6-methyl-N-(methyl-d3)-N-propyl-, (5α,8α)- [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: 573.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 300.8±30.1 °C
Index of Refraction: 1.654
Molar Refractivity: 95.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 20.19
Polar Surface Area: 36 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 261.4±7.0 cm3

Click to predict properties on the Chemicalize site


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