Determine the necessary mass, volume, or concentration for preparing a solution.
≥99%(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.
| Canonical Smiles | CCCNCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F.Cl |
|---|---|
| IUPAC Name | N-[4-[2-(propylamino)ethyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride |
| InChIKey | UOMDLHQTLPWCCE-UHFFFAOYSA-N |
| INCHI | 1S/C18H21F3N2O3S.ClH/c1-2-12-22-13-11-14-3-5-15(6-4-14)23-27(24,25)17-9-7-16(8-10-17)26-18(19,20)21;/h3-10,22-23H,2,11-13H2,1H3;1H |
| Isomeric SMILES | CCCNCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F.Cl |
| PubChem CID | 56972219 |
| Molecular Weight | 438.89 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jan 30, 2024 | P287274 | |
| Certificate of Analysis | Jan 30, 2024 | P287274 | |
| Certificate of Analysis | Jan 30, 2024 | P287274 | |
| Certificate of Analysis | Jan 30, 2024 | P287274 | |
| Certificate of Analysis | Jan 30, 2024 | P287274 | |
| Certificate of Analysis | Jan 30, 2024 | P287274 | |
| Certificate of Analysis | Jan 30, 2024 | P287274 | |
| Certificate of Analysis | Jan 30, 2024 | P287274 | |
| Certificate of Analysis | Jan 30, 2024 | P287274 | |
| Certificate of Analysis | Jan 30, 2024 | P287274 |
| Solubility | Solvent:water, Max Conc. mg/mL: 8.78, Max Conc. mM: 20; Solvent:DMSO, Max Conc. mg/mL: 43.89, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 438.900 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 438.099 Da |
| Monoisotopic Mass | 438.099 Da |
| Topological Polar Surface Area | 75.800 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 521.000 |
| 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 | 2 |