≥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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504756523 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756523 |
| Canonical Smiles | C1=CC=C(C=C1)CCC(C(=O)O)N |
| IUPAC Name | 2-amino-4-phenylbutanoic acid |
| InChIKey | JTTHKOPSMAVJFE-UHFFFAOYSA-N |
| INCHI | 1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13) |
| Isomeric SMILES | C1=CC=C(C=C1)CCC(C(=O)O)N |
| WGK Germany | 3 |
| Molecular Weight | 179.22 |
| Reaxy-Rn | 2805875 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2805875&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 acids |
| Alternative Parents | Aralkylamines Benzene and substituted derivatives Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). |
| 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 |
|---|---|---|---|
 D1823060 | Certificate of Analysis | Nov 10, 2025 | H117213 |
| D1823061 | Certificate of Analysis | Nov 10, 2025 | H117213 |
| A2207749 | Certificate of Analysis | Oct 13, 2025 | H117213 |
| A2207833 | Certificate of Analysis | Oct 13, 2025 | H117213 |
| A2207834 | Certificate of Analysis | Oct 13, 2025 | H117213 |
| J2330591 | Certificate of Analysis | Aug 22, 2023 | H117213 |
| I1528010 | Certificate of Analysis | Jun 05, 2023 | H117213 |
| J2229669 | Certificate of Analysis | Sep 14, 2022 | H117213 |
| J2229703 | Certificate of Analysis | Sep 14, 2022 | H117213 |
| J2229704 | Certificate of Analysis | Sep 14, 2022 | H117213 |
| G2320140 | Certificate of Analysis | Nov 29, 2021 | H117213 |
| Melt Point(°C) | 282°C |
|---|---|
| Molecular Weight | 179.220 g/mol |
| XLogP3 | -1.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 179.095 Da |
| Monoisotopic Mass | 179.095 Da |
| Topological Polar Surface Area | 63.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 164.000 |
| 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 |
| 1. Xinjian Yin, Yayun Liu, Lijun Meng, Haisheng Zhou, Jianping Wu, Lirong Yang. (2020) Semi-rational hinge engineering: modulating the conformational transformation of glutamate dehydrogenase for enhanced reductive amination activity towards non-natural substrates. Catalysis Science & Technology, 10 (10): (3376-3386). [PMID:] [10.1039/C9CY02576F] |
