ChemSpider 2D Image | (8beta)-2-Bromo-N,N-diethyl-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide | C21H26BrN3O

(8β)-2-Bromo-N,N-diethyl-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide

  • Molecular FormulaC21H26BrN3O
  • Average mass416.355 Da
  • Monoisotopic mass415.125916 Da
  • ChemSpider ID129234694

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(8β)-2-Brom-N,N-diethyl-1,6-dimethyl-9,10-didehydroergolin-8-carboxamid [German] [ACD/IUPAC Name]
(8β)-2-Bromo-N,N-diethyl-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide [ACD/IUPAC Name]
(8β)-2-Bromo-N,N-diéthyl-1,6-diméthyl-9,10-didéhydroergoline-8-carboxamide [French] [ACD/IUPAC Name]
Ergoline-8-carboxamide, 2-bromo-9,10-didehydro-N,N-diethyl-1,6-dimethyl-, (8β)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 581.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.3±30.1 °C
Index of Refraction: 1.657
Molar Refractivity: 108.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 63.61
ACD/KOC (pH 5.5): 341.46
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 635.48
ACD/KOC (pH 7.4): 3411.16
Polar Surface Area: 28 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 295.2±7.0 cm3

Click to predict properties on the Chemicalize site


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