ChemSpider 2D Image | 4-[(5xi)-9,10-Didehydroergolin-8-ylmethyl]-2,6-piperazinedione | C19H20N4O2

4-[(5ξ)-9,10-Didehydroergolin-8-ylmethyl]-2,6-piperazinedione

  • Molecular FormulaC19H20N4O2
  • Average mass336.388 Da
  • Monoisotopic mass336.158630 Da
  • ChemSpider ID28681165

More details:

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

2,6-Piperazinedione, 4-[[(5ξ)-9,10-didehydroergolin-8-yl]methyl]- [ACD/Index Name]
4-[(5ξ)-9,10-Didehydroergolin-8-ylmethyl]-2,6-piperazindion [German] [ACD/IUPAC Name]
4-[(5ξ)-9,10-Didehydroergolin-8-ylmethyl]-2,6-piperazinedione [ACD/IUPAC Name]
4-[(5ξ)-9,10-Didéhydroergolin-8-ylméthyl]-2,6-pipérazinedione [French] [ACD/IUPAC Name]
131816-89-2 [RN]
2,6-Piperazinedione,4-[[(8b)-9,10-didehydroergolin-8-yl]methyl]-(9CI)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 645.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.3±31.5 °C
Index of Refraction: 1.726
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): -1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.71
Polar Surface Area: 77 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 73.7±5.0 dyne/cm
Molar Volume: 236.6±5.0 cm3

Click to predict properties on the Chemicalize site


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