≥95% 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.
| Canonical Smiles | CN1C(=C(C(=N1)Br)C(=O)NCC(=O)O)N |
|---|---|
| IUPAC Name | 2-[(5-amino-3-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid |
| InChIKey | UWKQHRBXXNTKHL-UHFFFAOYSA-N |
| INCHI | 1S/C7H9BrN4O3/c1-12-6(9)4(5(8)11-12)7(15)10-2-3(13)14/h2,9H2,1H3,(H,10,15)(H,13,14) |
| Molecular Weight | 277.08 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 - N-acyl-alpha amino acids and derivatives |
| Direct Parent | N-acyl-alpha amino acids |
| Alternative Parents | Pyrazole-4-carboxamides Aryl bromides Vinylogous halides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary amines Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-acyl-alpha-amino acid - Pyrazole-4-carboxamide - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Vinylogous halide - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 277.080 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 275.986 Da |
| Monoisotopic Mass | 275.986 Da |
| Topological Polar Surface Area | 110.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 275.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
![2-[(5-amino-3-bromo-1-methyl-1H-pyrazol-4-yl)formamido]acetic acid - ≥95% , CAS No.1258650-49-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)