≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504772610 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772610 |
| Canonical Smiles | C1=CC(=CC(=C1)N)CNC(=O)C2=CN=C(C=C2)OC3=CC=C(C=C3)OCC4=CC(=CC=C4)F.Cl.Cl |
| IUPAC Name | N-[(3-aminophenyl)methyl]-6-[4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide;dihydrochloride |
| InChIKey | OCKIUNLKEPKCRE-UHFFFAOYSA-N |
| INCHI | 1S/C26H22FN3O3.2ClH/c27-21-5-1-4-19(13-21)17-32-23-8-10-24(11-9-23)33-25-12-7-20(16-29-25)26(31)30-15-18-3-2-6-22(28)14-18;;/h1-14,16H,15,17,28H2,(H,30,31);2*1H |
| Isomeric SMILES | C1=CC(=CC(=C1)N)CNC(=O)C2=CN=C(C=C2)OC3=CC=C(C=C3)OCC4=CC(=CC=C4)F.Cl.Cl |
| Alternate CAS | 837424-39-2 |
| PubChem CID | 90488952 |
| Molecular Weight | 516.39 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylethers |
| Alternative Parents | Nicotinamides Phenoxy compounds Phenol ethers Aniline and substituted anilines Alkyl aryl ethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Hydrochlorides Organic oxides Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diaryl ether - Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Primary amine - Organic oxide - Amine - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2526110 | Certificate of Analysis | Jun 11, 2025 | Y286782 |
| I2109467 | Certificate of Analysis | Jun 21, 2024 | Y286782 |
| I2109468 | Certificate of Analysis | Jun 21, 2024 | Y286782 |
| I2109469 | Certificate of Analysis | Jun 21, 2024 | Y286782 |
| I2109470 | Certificate of Analysis | Jun 21, 2024 | Y286782 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 51.64, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 516.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 515.118 Da |
| Monoisotopic Mass | 515.118 Da |
| Topological Polar Surface Area | 86.500 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 601.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 3 |
