ChemSpider 2D Image | Benzyl {[(8beta)-1,6-dimethylergolin-8-yl]methyl}(~11~C)carbamate | C2411CH29N3O2

Benzyl {[(8β)-1,6-dimethylergolin-8-yl]methyl}(11C)carbamate

  • Molecular FormulaC2411CH29N3O2
  • Average mass402.517 Da
  • Monoisotopic mass402.237396 Da
  • ChemSpider ID26356030
  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

{[(8β)-1,6-Diméthylergolin-8-yl]méthyl}(11C)carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl {[(8β)-1,6-dimethylergolin-8-yl]methyl}(11C)carbamate [ACD/IUPAC Name]
Benzyl-{[(8β)-1,6-dimethylergolin-8-yl]methyl}(11C)carbamat [German] [ACD/IUPAC Name]
Carbamic-11C acid, N-[[(8β)-1,6-dimethylergolin-8-yl]methyl]-, phenylmethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 117.9±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 320.5±7.0 cm3

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