| Pubchem Sid | 488187305 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187305 |
| Sonrisas canónicas | CC(C(=O)O)NC(=O)CCl |
| IUPAC Name | 2-[(2-chloroacetyl)amino]propanoic acid |
| InChIKey | HTAQFYLADZNZHZ-UHFFFAOYSA-N |
| INCHI | 1S/C5H8ClNO3/c1-3(5(9)10)7-4(8)2-6/h3H,2H2,1H3,(H,7,8)(H,9,10) |
| Isómeros SMILES | CC(C(=O)O)NC(=O)CCl |
| Peso molecular | 165.57 |
| Reaxy-Rn | 1724448 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1724448&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 |
| Clase | 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 | Alanine and derivatives Chloroacetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | N-acyl-alpha-amino acid - Alanine or derivatives - Chloroacetamide - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound |
| Descripción | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 L2205268 | Certificate of Analysis | Oct 21, 2022 | N159049 |
| L2205269 | Certificate of Analysis | Oct 21, 2022 | N159049 |
| L2205270 | Certificate of Analysis | Oct 18, 2022 | N159049 |
| K2202765 | Certificate of Analysis | Sep 15, 2022 | N159049 |
| Punto de fusión (°C) | 125 °C |
|---|---|
| Peso molecular | 165.570 g/mol |
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 165.019 Da |
| Monoisotopic Mass | 165.019 Da |
| Topological Polar Surface Area | 66.400 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 148.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
