CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 64-65 ºC at 0.760 mmHg |
| Melting Point | 161-165 ºC |
| Solubility | 27.8 mg/mL |
| LogP | 0.676 |
| Dissociation Constants | 10.1 |
| Collision Cross Section | 164.2 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
COMPUTED DESCRIPTORS
| Molecular Weight | 255.35 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 255.162314293 g/mol |
| Monoisotopic Mass | 255.162314293 g/mol |
| Topological Polar Surface Area | 21.3 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 237 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Atomoxetine is a secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents. It has a role as an adrenergic uptake inhibitor, an antidepressant, a xenobiotic and an environmental contaminant. It is an aromatic ether, a secondary amino compound and a member of toluenes.