≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Desiccated,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 | 488196238 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488196238 |
| Canonical Smiles | CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)N |
| IUPAC Name | (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid |
| InChIKey | SNZIFNXFAFKRKT-NSHDSACASA-N |
| INCHI | 1S/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1 |
| Isomeric SMILES | CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)O)N |
| WGK Germany | 3 |
| Molecular Weight | 237.29 |
| Reaxy-Rn | 3032966 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3032966&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 | Phenylalanine and derivatives |
| Alternative Parents | Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Quaternary ammonium salts Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkylamines Carbonyl compounds Organic oxides Organic salts Organic zwitterions |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Phenoxy compound - Phenol ether - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Amine - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| 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 |
|---|---|---|---|
 A1307016 | Certificate of Analysis | Mar 02, 2026 | B117010 |
| A2213205 | Certificate of Analysis | Jan 18, 2022 | B117010 |
| A2213221 | Certificate of Analysis | Jan 18, 2022 | B117010 |
| A2615173 | Certificate of Analysis | Jan 18, 2022 | B117010 |
| F2505056 | Certificate of Analysis | Jan 18, 2022 | B117010 |
| K2419679 | Certificate of Analysis | Jan 18, 2022 | B117010 |
| C2310833 | Certificate of Analysis | Nov 24, 2021 | B117010 |
| Specific Rotation[α] | -6° (C=1,1mol/L HCl) |
|---|---|
| Melt Point(°C) | 205°C |
| Molecular Weight | 237.290 g/mol |
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 237.136 Da |
| Monoisotopic Mass | 237.136 Da |
| Topological Polar Surface Area | 72.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 252.000 |
| 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 | 1 |
| 1. Zhang Qiang, Chen Wanyi, Qin Ming, Wang Yuhao, Pu Zhongji, Ding Keyan, Liu Yuyue, Zhang Qunfeng, Li Dongfang, Li Xinjia, Zhao Yu, Yao Jianhua, Huang Lei, Wu Jianping, Yang Lirong, Chen Huajun, Yu Haoran. (2025) Integrating protein language models and automatic biofoundry for enhanced protein evolution. Nature Communications, 16 (1): (1-16). [PMID:39934638] [10.1038/s41467-025-56751-8] |
