ChemSpider 2D Image | 4-Amino-N-[(4S)-1-azabicyclo[3.3.1]non-4-yl]-5-chloro-2-methoxybenzamide | C16H22ClN3O2

4-Amino-N-[(4S)-1-azabicyclo[3.3.1]non-4-yl]-5-chloro-2-methoxybenzamide

  • Molecular FormulaC16H22ClN3O2
  • Average mass323.818 Da
  • Monoisotopic mass323.140045 Da
  • ChemSpider ID23137544

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4-Amino-N-[(4S)-1-azabicyclo[3.3.1]non-4-yl]-5-chlor-2-methoxybenzamid [German] [ACD/IUPAC Name]
4-Amino-N-[(4S)-1-azabicyclo[3.3.1]non-4-yl]-5-chloro-2-methoxybenzamide [ACD/IUPAC Name]
4-Amino-N-[(4S)-1-azabicyclo[3.3.1]non-4-yl]-5-chloro-2-méthoxybenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-amino-N-[(4S)-1-azabicyclo[3.3.1]non-4-yl]-5-chloro-2-methoxy- [ACD/Index Name]
4-Amino-N-(S)-1-aza-bicyclo[3.3.1]non-4-yl-5-chloro-2-methoxy-benzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 469.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.6±28.7 °C
Index of Refraction: 1.615
Molar Refractivity: 86.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -1.16
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): 4.42
Polar Surface Area: 68 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 248.7±5.0 cm3

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