ChemSpider 2D Image | 6,8-Dimethylergolin-9-yl acetate | C18H22N2O2

6,8-Dimethylergolin-9-yl acetate

  • Molecular FormulaC18H22N2O2
  • Average mass298.379 Da
  • Monoisotopic mass298.168121 Da
  • ChemSpider ID28581575

More details:






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

6,8-Dimethylergolin-9-yl acetate [ACD/IUPAC Name]
6,8-Dimethylergolin-9-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 6,8-diméthylergolin-9-yle [French] [ACD/IUPAC Name]
Ergolin-9-ol, 6,8-dimethyl-, acetate (ester) [ACD/Index Name]
4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-yl acetate
6879-59-0 [RN]
Fumigaclavine A
Isofumigaclavine A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 456.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 230.2±28.7 °C
Index of Refraction: 1.632
Molar Refractivity: 86.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 2.64
ACD/KOC (pH 5.5): 20.28
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 100.68
ACD/KOC (pH 7.4): 773.96
Polar Surface Area: 45 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 241.4±5.0 cm3

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