ChemSpider 2D Image | (5xi,10xi)-8-(Iodomethyl)-6-propylergoline | C18H23IN2

(5ξ,10ξ)-8-(Iodomethyl)-6-propylergoline

  • Molecular FormulaC18H23IN2
  • Average mass394.293 Da
  • Monoisotopic mass394.090576 Da
  • ChemSpider ID28720225

More details:






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

(5ξ,10ξ)-8-(Iodmethyl)-6-propylergolin [German] [ACD/IUPAC Name]
(5ξ,10ξ)-8-(Iodomethyl)-6-propylergoline [ACD/IUPAC Name]
(5ξ,10ξ)-8-(Iodométhyl)-6-propylergoline [French] [ACD/IUPAC Name]
Ergoline, 8-(iodomethyl)-6-propyl-, (5ξ,10ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 503.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 258.4±27.3 °C
Index of Refraction: 1.650
Molar Refractivity: 97.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 4.67
ACD/KOC (pH 5.5): 16.74
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 175.16
ACD/KOC (pH 7.4): 628.07
Polar Surface Area: 19 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 268.0±3.0 cm3

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