≥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.
| Canonical Smiles | CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(C)N.C(=O)(C(F)(F)F)O |
|---|---|
| IUPAC Name | (2R)-2-amino-N-(4-methyl-2-oxochromen-7-yl)propanamide;2,2,2-trifluoroacetic acid |
| InChIKey | YYGKKBUKGNFDJW-DDWIOCJRSA-N |
| INCHI | 1S/C13H14N2O3.C2HF3O2/c1-7-5-12(16)18-11-6-9(3-4-10(7)11)15-13(17)8(2)14;3-2(4,5)1(6)7/h3-6,8H,14H2,1-2H3,(H,15,17);(H,6,7)/t8-;/m1./s1 |
| Isomeric SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@@H](C)N.C(=O)(C(F)(F)F)O |
| Alternate CAS | 201847-52-1 |
| PubChem CID | 24801882 |
| Molecular Weight | 360.28 |
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 |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid amides |
| Alternative Parents | Alanine and derivatives Coumarins and derivatives 1-benzopyrans N-arylamides Pyranones and derivatives Benzenoids Heteroaromatic compounds Alpha-halocarboxylic acids Lactones Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Oxacyclic compounds Monoalkylamines Hydrocarbon derivatives Organofluorides Carbonyl compounds Alkyl fluorides Organic oxides |
| Molecular Framework | Not available |
| Substituents | Alpha-amino acid amide - Coumarin - Alanine or derivatives - Benzopyran - 1-benzopyran - N-arylamide - Pyranone - Pyran - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Lactone - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Alkyl fluoride - Organohalogen compound - Primary aliphatic amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Molecular Weight | 360.280 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 360.093 Da |
| Monoisotopic Mass | 360.093 Da |
| Topological Polar Surface Area | 119.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 475.000 |
| 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 |
