ChemSpider 2D Image | (10xi)-8-{[4-(4-Methoxyphenyl)-1-piperazinyl]methyl}-6-methylergoline | C27H34N4O

(10ξ)-8-{[4-(4-Methoxyphenyl)-1-piperazinyl]methyl}-6-methylergoline

  • Molecular FormulaC27H34N4O
  • Average mass430.585 Da
  • Monoisotopic mass430.273254 Da
  • ChemSpider ID109121052

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(10ξ)-8-{[4-(4-Methoxyphenyl)-1-piperazinyl]methyl}-6-methylergolin [German] [ACD/IUPAC Name]
(10ξ)-8-{[4-(4-Methoxyphenyl)-1-piperazinyl]methyl}-6-methylergoline [ACD/IUPAC Name]
(10ξ)-8-{[4-(4-Méthoxyphényl)-1-pipérazinyl]méthyl}-6-méthylergoline [French] [ACD/IUPAC Name]
Ergoline, 8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-6-methyl-, (10ξ)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 631.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.6±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 130.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 56.54
ACD/KOC (pH 7.4): 292.22
Polar Surface Area: 35 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 364.4±3.0 cm3

Click to predict properties on the Chemicalize site


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