ChemSpider 2D Image | (3beta,8beta)-6,8-Dimethyl-9,10-didehydro-2,3-dihydroergoline | C16H20N2

(3β,8β)-6,8-Dimethyl-9,10-didehydro-2,3-dihydroergoline

  • Molecular FormulaC16H20N2
  • Average mass240.343 Da
  • Monoisotopic mass240.162643 Da
  • ChemSpider ID23133590

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3β,8β)-6,8-Dimethyl-9,10-didehydro-2,3-dihydroergolin [German] [ACD/IUPAC Name]
(3β,8β)-6,8-Dimethyl-9,10-didehydro-2,3-dihydroergoline [ACD/IUPAC Name]
(3β,8β)-6,8-Diméthyl-9,10-didéhydro-2,3-dihydroergoline [French] [ACD/IUPAC Name]
Ergoline, 9,10-didehydro-2,3-dihydro-6,8-dimethyl-, (3β,8β)- [ACD/Index Name]
(4R,7R,9S)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,12,14-tetraene
7,9-Dimethyl-4,5,5a,6,6a,7,8,9-octahydro-indolo[4,3-fg]quinoline

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

Density: 1.2±0.1 g/cm3
Boiling Point: 398.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 177.3±18.9 °C
Index of Refraction: 1.638
Molar Refractivity: 74.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 4.67
ACD/KOC (pH 7.4): 44.94
Polar Surface Area: 15 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 206.1±5.0 cm3

Click to predict properties on the Chemicalize site


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