Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(T) 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 | 488201057 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488201057 |
| Sonrisas canónicas | COC(=O)C(COCC1=CC=CC=C1)N.Cl |
| IUPAC Name | methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride |
| InChIKey | UDHSAWHYRXHQJP-PPHPATTJSA-N |
| INCHI | 1S/C11H15NO3.ClH/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3;1H/t10-;/m0./s1 |
| Isómeros SMILES | COC(=O)[C@H](COCC1=CC=CC=C1)N.Cl |
| Peso molecular | 245.7 |
| Beilstein | 6(4)2548 |
| Reaxy-Rn | 6451192 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6451192&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 |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Benzylethers Methyl esters Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid ester - Benzylether - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Primary amine - Hydrochloride - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Rotación específica [α] | 5° (C=1,MeOH) |
|---|---|
| Peso molecular | 245.700 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 245.082 Da |
| Monoisotopic Mass | 245.082 Da |
| Topological Polar Surface Area | 61.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 190.000 |
| 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 |