Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
A selective agonist of the GABAB receptor.
| ALogP | -1 |
|---|
| Pubchem Sid | 504750551 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750551 |
| Sonrisas canónicas | C1=CC(=CC=C1C(CC(=O)O)CN)Cl |
| IUPAC Name | 4-amino-3-(4-chlorophenyl)butanoic acid |
| InChIKey | KPYSYYIEGFHWSV-UHFFFAOYSA-N |
| INCHI | 1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14) |
| Isómeros SMILES | C1=CC(=CC=C1C(CC(=O)O)CN)Cl |
| WGK Alemania | 3 |
| RTECS | MW5084200 |
| Número ONU | 2811 |
| Grupo de embalaje | I |
| Peso molecular | 213.66 |
| Reaxy-Rn | 2104494 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2104494&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 |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives |
| Direct Parent | Gamma amino acids and derivatives |
| Alternative Parents | Phenylpropanoic acids Chlorobenzenes Aralkylamines Amino fatty acids Aryl chlorides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Gamma amino acid or derivatives - 3-phenylpropanoic-acid - Amino fatty acid - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Organic nitrogen compound - Primary aliphatic amine - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom. |
| External Descriptors | monocarboxylic acid - primary amino compound - monochlorobenzenes - gamma-amino acid |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Nov 24, 2025 | X138043 | |
| Certificate of Analysis | Jul 23, 2025 | X138043 | |
| Certificate of Analysis | Jul 23, 2025 | X138043 | |
| Certificate of Analysis | Jul 23, 2025 | X138043 | |
| Certificate of Analysis | Jul 23, 2025 | X138043 |
| Solubilidad | Soluble in water (pH 7.6) (4.3 mg/ml), dilute aqueous acid (> 20 mg/ml), dilute aqueous base (>20 mg/ml), ethanol (0.02 mg/ml), and methanol (slightly soluble). Insoluble in acetone, chloroform, and ether. |
|---|---|
| Punto de fusión (°C) | 208°C(lit.) |
| Peso molecular | 213.660 g/mol |
| XLogP3 | -1.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 213.056 Da |
| Monoisotopic Mass | 213.056 Da |
| Topological Polar Surface Area | 63.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 191.000 |
| 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. Guo-Li Wang, Ying-Ping Wang, Jing-Yu Zheng, Lian-Xue Zhang. (2018) Monoaminergic and aminoacidergic receptors are involved in the antidepressant-like effect of ginsenoside Rb1 in mouse hippocampus (CA3) and prefrontal cortex. BRAIN RESEARCH, [PMID:29802841] [10.1016/j.brainres.2018.05.035] |
| 2. Fengtao Cai, Ning Xu, Zhuguo Liu, Rong Ding, Shuo Yu, Mingxin Dong, Shuo Wang, Jintao Shen, Han-Shen Tae, David J. Adams, Xuerong Zhang, Qiuyun Dai. (2018) Targeting of N-Type Calcium Channels via GABAB-Receptor Activation by α-Conotoxin Vc1.1 Variants Displaying Improved Analgesic Activity. JOURNAL OF MEDICINAL CHEMISTRY, [PMID:30358401] [10.1021/acs.jmedchem.8b01343] |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →