ChemSpider 2D Image | 4-Amino-5-chloro-2-methoxy-N-[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]benzenecarboximidic acid | C16H22ClN3O2

4-Amino-5-chloro-2-methoxy-N-[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]benzenecarboximidic acid

  • Molecular FormulaC16H22ClN3O2
  • Average mass323.818 Da
  • Monoisotopic mass323.140045 Da
  • ChemSpider ID57642201

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-Amino-5-chlor-2-methoxy-N-[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]benzolcarboximidsäure [German] [ACD/IUPAC Name]
4-Amino-5-chloro-2-methoxy-N-[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]benzenecarboximidic acid [ACD/IUPAC Name]
Acide 4-amino-5-chloro-2-méthoxy-N-[(3-exo)-8-méthyl-8-azabicyclo[3.2.1]oct-3-yl]benzènecarboximidique [French] [ACD/IUPAC Name]
Benzenecarboximidic acid, 4-amino-5-chloro-2-methoxy-N-[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 506.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 259.9±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 84.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 228.3±7.0 cm3

Click to predict properties on the Chemicalize site


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