CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 603 |
| Melting Point | 75.5-76.5 °C |
| Solubility | Sparingly soluble |
| Vapor Pressure | 1.9X10-15 mm Hg at 25 °C /Estimated/ |
| LogP | 4.2 |
| Henry's Law Constant | Henry's Law constant = 2.5X10-17 atm-cu m/mol at 25 °C /Estimated/ |
| Stability/Shelf Life | Salmeterol xinafoate oral inhalation aerosol or oral inhalation powder (Serevent Diskus) is stable for 2 years or 18 months, respectively, from the date of manufacture. |
| Dissociation Constants | pKa = 11.2 /Estimated/ |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 1.8X10-10 cu cm/molec sec at 25 °C /Estimated/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 415.6 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 16 |
| Exact Mass | 415.27225866 g/mol |
| Monoisotopic Mass | 415.27225866 g/mol |
| Topological Polar Surface Area | 82 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 403 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-(hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol is a phenol having a hydroxymethyl group at C-2 and a 1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl group at C-4; derivative of phenylethanolamine. It is a member of phenols, an ether, a secondary alcohol, a primary alcohol and a secondary amino compound. It is functionally related to a phenylethanolamine.