ChemSpider 2D Image | (10beta)-6-Methylergoline | C15H18N2

(10β)-6-Methylergoline

  • Molecular FormulaC15H18N2
  • Average mass226.317 Da
  • Monoisotopic mass226.147003 Da
  • ChemSpider ID23190046

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10β)-6-Methylergolin [German] [ACD/IUPAC Name]
(10β)-6-Methylergoline [ACD/IUPAC Name]
(10β)-6-Méthylergoline [French] [ACD/IUPAC Name]
Ergoline, 6-methyl-, (10β)- [ACD/Index Name]
7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL318842/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 404.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 198.6±25.9 °C
Index of Refraction: 1.651
Molar Refractivity: 70.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.38
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 11.32
ACD/KOC (pH 7.4): 87.04
Polar Surface Area: 19 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 194.0±3.0 cm3

Click to predict properties on the Chemicalize site


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