≥99% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488195986 |
|---|---|
| Canonical Smiles | C1=CC(=CC(=C1)Cl)CC(C(=O)O)N |
| IUPAC Name | (2R)-2-amino-3-(3-chlorophenyl)propanoic acid |
| InChIKey | JJDJLFDGCUYZMN-MRVPVSSYSA-N |
| INCHI | 1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1 |
| Isomeric SMILES | C1=CC(=CC(=C1)Cl)C[C@H](C(=O)O)N |
| Molecular Weight | 199.6 |
| Reaxy-Rn | 2725763 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2725763&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 D-alpha-amino acids Aralkylamines Chlorobenzenes Aryl chlorides Quaternary ammonium salts Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkylamines Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organochlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - D-alpha-amino acid - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Primary aliphatic amine - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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 |
|---|---|---|---|
 K1925048 | Certificate of Analysis | Sep 08, 2023 | C117066 |
| I2305220 | Certificate of Analysis | Aug 22, 2023 | C117066 |
| I2305221 | Certificate of Analysis | Aug 22, 2023 | C117066 |
| I2305222 | Certificate of Analysis | Aug 22, 2023 | C117066 |
| I2305223 | Certificate of Analysis | Aug 22, 2023 | C117066 |
| I2305224 | Certificate of Analysis | Aug 22, 2023 | C117066 |
| K1907034 | Certificate of Analysis | Aug 04, 2023 | C117066 |
| L22151100 | Certificate of Analysis | Dec 28, 2022 | C117066 |
| Molecular Weight | 199.630 g/mol |
|---|---|
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 199.04 Da |
| Monoisotopic Mass | 199.04 Da |
| Topological Polar Surface Area | 63.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 186.000 |
| 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. Shaobo Yang, Hong Yang, Yanlei Huang, Gong Chen, Chun Shen, Shan Zheng. (2023) Serum Metabolomic Signatures of Hirschsprung’s Disease Based on GC–MS and LC–MS. JOURNAL OF PROTEOME RESEARCH, [PMID:37235583] [10.1021/acs.jproteome.3c00008] |
| 2. Ding Xuexuan, Qin Jingtong, Huang Fangfang, Feng Fuhai, Luo Lianxiang. (2023) The combination of machine learning and untargeted metabolomics identifies the lipid metabolism -related gene CH25H as a potential biomarker in asthma. INFLAMMATION RESEARCH, 72 (5): (1099-1119). [PMID:37081162] [10.1007/s00011-023-01732-0] |
