ChemSpider 2D Image | (8beta)-6-Cyclopropyl-N,N-diethyl-9,10-didehydroergoline-8-carboxamide | C22H27N3O

(8β)-6-Cyclopropyl-N,N-diethyl-9,10-didehydroergoline-8-carboxamide

  • Molecular FormulaC22H27N3O
  • Average mass349.469 Da
  • Monoisotopic mass349.215424 Da
  • ChemSpider ID21106273

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8β)-6-Cyclopropyl-N,N-diethyl-9,10-didehydroergolin-8-carboxamid [German] [ACD/IUPAC Name]
(8β)-6-Cyclopropyl-N,N-diethyl-9,10-didehydroergoline-8-carboxamide [ACD/IUPAC Name]
(8β)-6-Cyclopropyl-N,N-diéthyl-9,10-didéhydroergoline-8-carboxamide [French] [ACD/IUPAC Name]
Ergoline-8-carboxamide, 6-cyclopropyl-9,10-didehydro-N,N-diethyl-, (8β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 572.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 299.7±30.1 °C
Index of Refraction: 1.668
Molar Refractivity: 104.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.38
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 50.74
ACD/KOC (pH 7.4): 375.98
Polar Surface Area: 39 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 280.2±5.0 cm3

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