≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 | CC(C)CC(C(=O)C1(CO1)C)N.C(=O)(C(F)(F)F)O |
|---|---|
| IUPAC Name | (2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;2,2,2-trifluoroacetic acid |
| InChIKey | OWGGQBZQMQMPBI-DKXTVVGFSA-N |
| INCHI | 1S/C9H17NO2.C2HF3O2/c1-6(2)4-7(10)8(11)9(3)5-12-9;3-2(4,5)1(6)7/h6-7H,4-5,10H2,1-3H3;(H,6,7)/t7-,9+;/m0./s1 |
| Isomeric SMILES | CC(C)C[C@@H](C(=O)[C@]1(CO1)C)N.C(=O)(C(F)(F)F)O |
| PubChem CID | 78358372 |
| Molecular Weight | 285.26 |
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 | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Alpha-amino ketones |
| Alternative Parents | Alpha-halocarboxylic acids Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Carboxylic acids Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Not available |
| Substituents | Alpha-aminoketone - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Organic oxide - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Primary aliphatic amine - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Primary amine - Amine - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha-amino ketones. These are ketones containing a carboxylic acid, and an amine group attached to the alpha carbon atom relative to C=O group. |
| External Descriptors | Not available |
| Molecular Weight | 285.260 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 285.119 Da |
| Monoisotopic Mass | 285.119 Da |
| Topological Polar Surface Area | 92.900 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 274.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
