Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1CN(CC1N)C(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F.Cl |
|---|---|
| IUPAC Name | N-[2-[(3S)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide;hydrochloride |
| InChIKey | FPNGMQVUFFNLFP-MERQFXBCSA-N |
| INCHI | 1S/C14H16F3N3O2.ClH/c15-14(16,17)10-3-1-2-9(6-10)13(22)19-7-12(21)20-5-4-11(18)8-20;/h1-3,6,11H,4-5,7-8,18H2,(H,19,22);1H/t11-;/m0./s1 |
| Isomeric SMILES | C1CN(C[C@H]1N)C(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F.Cl |
| PubChem CID | 69003059 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →| Molecular Weight | 351.750 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 351.096 Da |
| Monoisotopic Mass | 351.096 Da |
| Topological Polar Surface Area | 75.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 428.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |