≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | 488194062 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194062 |
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)O.CC(C(=O)OCC1=CC=CC=C1)N |
| IUPAC Name | benzyl (2S)-2-aminopropanoate;4-methylbenzenesulfonic acid |
| InChIKey | NWOPHJSSBMABBD-QRPNPIFTSA-N |
| INCHI | 1S/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10)/t8-;/m0./s1 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C[C@@H](C(=O)OCC1=CC=CC=C1)N |
| WGK Germany | 3 |
| Molecular Weight | 351.42 |
| Beilstein | 3586474 |
| Reaxy-Rn | 4117068 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4117068&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 |
| 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 | Alanine and derivatives Benzyloxycarbonyls Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Alpha-amino acid ester - Alanine or derivatives - Benzyloxycarbonyl - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - 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 |
|---|---|---|---|
 I1819127 | Certificate of Analysis | Apr 15, 2026 | A109014 |
| G1817137 | Certificate of Analysis | Feb 05, 2026 | A109014 |
| E2203025 | Certificate of Analysis | Feb 04, 2026 | A109014 |
| E2203030 | Certificate of Analysis | Feb 04, 2026 | A109014 |
| B2324348 | Certificate of Analysis | Mar 07, 2023 | A109014 |
| B2324324 | Certificate of Analysis | Feb 28, 2023 | A109014 |
| B2324318 | Certificate of Analysis | Feb 19, 2022 | A109014 |
| Solubility | Soluble in methanol |
|---|---|
| Specific Rotation[α] | -5 ° (C=3, MeOH) |
| Melt Point(°C) | 110-115°C |
| Molecular Weight | 351.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 351.114 Da |
| Monoisotopic Mass | 351.114 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 371.000 |
| 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 |
