ChemSpider 2D Image | (~2~H_5_)Phenylmethyl {[(8beta)-1,6-dimethylergolin-8-yl]methyl}carbamate | C25H24D5N3O2

(2H5)Phenylmethyl {[(8β)-1,6-dimethylergolin-8-yl]methyl}carbamate

  • Molecular FormulaC25H24D5N3O2
  • Average mass408.547 Da
  • Monoisotopic mass408.257355 Da
  • ChemSpider ID58783388
  • 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

(2H5)Phenylmethyl {[(8β)-1,6-dimethylergolin-8-yl]methyl}carbamate [ACD/IUPAC Name]
(2H5)Phenylmethyl-{[(8β)-1,6-dimethylergolin-8-yl]methyl}carbamat [German] [ACD/IUPAC Name]
{[(8β)-1,6-Diméthylergolin-8-yl]méthyl}carbamate de (2H5)phénylméthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[[(8β)-1,6-dimethylergolin-8-yl]methyl]-, phenyl-d5-methyl 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: 612.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.2±31.5 °C
Index of Refraction: 1.657
Molar Refractivity: 117.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 10.74
ACD/KOC (pH 5.5): 39.93
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 548.00
ACD/KOC (pH 7.4): 2038.13
Polar Surface Area: 47 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 320.5±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement