≥95% 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.
| Sonrisas canónicas | C1CN(C[C@H]1N)C(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F |
|---|---|
| IUPAC Name | N-[2-[(3S)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide |
| InChIKey | XNRHTENCTZKMOJ-NSHDSACASA-N |
| INCHI | 1S/C14H16F3N3O2/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)/t11-/m0/s1 |
| Peso molecular | 315.29 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzamides |
| Direct Parent | Hippuric acids and derivatives |
| Alternative Parents | N-acyl-alpha amino acids and derivatives Alpha amino acid amides Trifluoromethylbenzenes N-acylpyrrolidines Benzoyl derivatives Tertiary carboxylic acid amides Tertiary amines Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzoyl - N-acylpyrrolidine - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Primary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Alkyl halide - Carbonyl group - Organic oxide - Alkyl fluoride - Amine - Organooxygen compound - Primary amine - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine. |
| External Descriptors | Not available |
| Peso molecular | 315.290 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 315.119 Da |
| Monoisotopic Mass | 315.119 Da |
| Topological Polar Surface Area | 75.400 Ų |
| Heavy Atom Count | 22 |
| 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 | 1 |
