ChemSpider 2D Image | epi-costaclavine | C16H20N2

epi-costaclavine

  • Molecular FormulaC16H20N2
  • Average mass240.343 Da
  • Monoisotopic mass240.162643 Da
  • ChemSpider ID58828637

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(8α,10β)-6,8-Dimethylergolin [German] [ACD/IUPAC Name]
(8α,10β)-6,8-Dimethylergoline [ACD/IUPAC Name]
(8α,10β)-6,8-Diméthylergoline [French] [ACD/IUPAC Name]
epi-costaclavine
Ergoline, 6,8-dimethyl-, (8α,10β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 407.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 200.2±25.9 °C
Index of Refraction: 1.624
Molar Refractivity: 75.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.43
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 18.39
ACD/KOC (pH 7.4): 120.44
Polar Surface Area: 19 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 214.0±3.0 cm3

Click to predict properties on the Chemicalize site


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