≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | 488196146 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488196146 |
| Sorrisos canónicos | CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(F)(F)F)C(=O)O |
| IUPAC Name | (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic acid |
| InChIKey | SMVCCWNHCHCWAZ-NSHDSACASA-N |
| INCHI | 1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(12(20)21)8-9-4-6-10(7-5-9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m0/s1 |
| SMILES isoméricas | CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C(F)(F)F)C(=O)O |
| WGK Alemanha | 3 |
| Peso molecular | 333.3 |
| Beilstein | 5617499 |
| Reaxy-Rn | 7388258 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7388258&ln= |
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 acids and derivatives |
| Classe | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Phenylalanine and derivatives |
| Alternative Parents | Phenylpropanoic acids Trifluoromethylbenzenes Amphetamines and derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalanine or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Trifluoromethylbenzene - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Item |
|---|---|---|---|
 C2314436 | Certificate of Analysis | Sep 01, 2026 | B132203 |
| E2218031 | Certificate of Analysis | Jan 20, 2026 | B132203 |
| E2218021 | Certificate of Analysis | Dec 12, 2025 | B132203 |
| E2218039 | Certificate of Analysis | Dec 12, 2025 | B132203 |
| L2326049 | Certificate of Analysis | Oct 11, 2025 | B132203 |
| E1527184 | Certificate of Analysis | Sep 04, 2024 | B132203 |
| E2218043 | Certificate of Analysis | Mar 14, 2024 | B132203 |
| Rotação específica [α] | 5° (C=1,MeOH) |
|---|---|
| Peso molecular | 333.300 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 333.119 Da |
| Monoisotopic Mass | 333.119 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 423.000 |
| 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 |
