ChemSpider 2D Image | [(8alpha,10beta)-6-Methylergolin-8-yl]acetonitrile | C17H19N3

[(8α,10β)-6-Methylergolin-8-yl]acetonitrile

  • Molecular FormulaC17H19N3
  • Average mass265.353 Da
  • Monoisotopic mass265.157898 Da
  • ChemSpider ID34255296

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(8α,10β)-6-Methylergolin-8-yl]acetonitril [German] [ACD/IUPAC Name]
[(8α,10β)-6-Methylergolin-8-yl]acetonitrile [ACD/IUPAC Name]
[(8α,10β)-6-Méthylergolin-8-yl]acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-[(8α,10β)-6-methylergolin-8-yl]- [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: 500.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 256.7±27.3 °C
Index of Refraction: 1.631
Molar Refractivity: 80.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.32
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 22.75
ACD/KOC (pH 7.4): 218.28
Polar Surface Area: 43 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 224.9±3.0 cm3

Click to predict properties on the Chemicalize site


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