≥98% 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 | 488197613 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488197613 |
| Canonical Smiles | CC(C)C(C(=O)OCC1=CC=CC=C1)N.Cl |
| IUPAC Name | benzyl (2S)-2-amino-3-methylbutanoate;hydrochloride |
| InChIKey | ZIUNABFUHGBCMF-MERQFXBCSA-N |
| INCHI | 1S/C12H17NO2.ClH/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10;/h3-7,9,11H,8,13H2,1-2H3;1H/t11-;/m0./s1 |
| Isomeric SMILES | CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)N.Cl |
| PubChem CID | 11601206 |
| Molecular Weight | 243.73 |
| Reaxy-Rn | 4889938 |
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 esters |
| Alternative Parents | Valine and derivatives Benzyloxycarbonyls Fatty acid esters Quaternary ammonium salts Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid ester - Valine or derivatives - Benzyloxycarbonyl - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Quaternary ammonium salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organic salt - Primary aliphatic amine - Organic chloride salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound |
| Description | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A1815110 | Certificate of Analysis | Aug 18, 2025 | S161114 |
| A1815109 | Certificate of Analysis | Aug 15, 2025 | S161114 |
| E2304474 | Certificate of Analysis | Jul 30, 2022 | S161114 |
| J2214201 | Certificate of Analysis | Jul 30, 2022 | S161114 |
| J2214230 | Certificate of Analysis | Jul 30, 2022 | S161114 |
| J2214231 | Certificate of Analysis | Jul 30, 2022 | S161114 |
| J2214323 | Certificate of Analysis | Jul 30, 2022 | S161114 |
| K2413023 | Certificate of Analysis | Jul 30, 2022 | S161114 |
| Solubility | Soluble in water |
|---|---|
| Specific Rotation[α] | -10° (C=2,H2O) |
| Melt Point(°C) | 138°C(lit.) |
| Molecular Weight | 243.730 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 243.103 Da |
| Monoisotopic Mass | 243.103 Da |
| Topological Polar Surface Area | 52.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 198.000 |
| 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 |
