ChemSpider 2D Image | 4-Amino-N-[(3S)-1-azabicyclo[2.2.2]oct-3-yl]-5-chloro-2-[(~3~H_3_)methyloxy]benzamide | C15H17T3ClN3O2

4-Amino-N-[(3S)-1-azabicyclo[2.2.2]oct-3-yl]-5-chloro-2-[(3H3)methyloxy]benzamide

  • Molecular FormulaC15H17T3ClN3O2
  • Average mass315.815 Da
  • Monoisotopic mass315.149078 Da
  • ChemSpider ID26377905

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

4-Amino-N-[(3S)-1-azabicyclo[2.2.2]oct-3-yl]-5-chlor-2-[(3H3)methyloxy]benzamid [German] [ACD/IUPAC Name]
4-Amino-N-[(3S)-1-azabicyclo[2.2.2]oct-3-yl]-5-chloro-2-[(3H3)methyloxy]benzamide [ACD/IUPAC Name]
4-Amino-N-[(3S)-1-azabicyclo[2.2.2]oct-3-yl]-5-chloro-2-[(3H3)méthyloxy]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-amino-N-[(3S)-1-azabicyclo[2.2.2]oct-3-yl]-5-chloro-2-(methyl-t3-oxy)- [ACD/Index Name]
[3H](S)-zacopride
[³H](S)-zacopride
4-amino-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2-(tritritiomethoxy)benzamide

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

Density:
Boiling Point: 456.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 229.9±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.50
Polar Surface Area: 68 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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