Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, 2mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -80°C Ships Dry ice packs + Cold packs 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N |
|---|---|
| IUPAC Name | (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid |
| InChIKey | CJCSPKMFHVPWAR-JTQLQIEISA-N |
| INCHI | 1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1 |
| Isomeric SMILES | C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N |
| RTECS | AY5950000 |
| Alternate CAS | 41372-08-1 |
| Molecular Weight | 211.22 |
| Reaxy-Rn | 2417244 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2417244&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 | Phenylpropanoids and polyketides |
| Class | Phenylpropanoic acids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanoic acids |
| Alternative Parents | D-alpha-amino acids Amphetamines and derivatives Phenylpropanes Catechols Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3-phenylpropanoic-acid - Alpha-amino acid - D-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Phenylpropane - Catechol - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. |
| External Descriptors | non-proteinogenic L-alpha-amino acid - L-tyrosine derivative |
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| Sensitivity | Air sensitive; Light sensitive |
|---|---|
| Specific Rotation[α] | -12.5 to -14.5 deg(C=1, H2O) |
| Melt Point(°C) | >300°C |
| Molecular Weight | 211.210 g/mol |
| XLogP3 | -1.900 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 211.084 Da |
| Monoisotopic Mass | 211.084 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 246.000 |
| 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. Wenlin Ma, Lihua Pang, Jinhua Liu, Lei Wen, Huili Ma, Yinhui Li, Zhihui Xu, Chengwu Zhang, Hai-Dong Yu. (2023) MnO4–-Triggered Immediate-Stable Real-Time Fluorescence Immunosensor with High Response Speed and Low Steady-State Error. ANALYTICAL CHEMISTRY, [PMID:37018486] [10.1021/acs.analchem.2c05149] |
| 2. Pan Xiong, Siqi Fan, Jinshan Song, Qizhou Dai. (2021) Mechanism of catalytic ozonation for elimination of methyldopa with Fe3O4@SiO2@CeO2 catalyst. WATER ENVIRONMENT RESEARCH, 93 (12): (2903-2913). [PMID:34363642] [10.1002/wer.1622] |
| 3. Di Zhou, Qiurong Luo, Qin Zeng, Yunchao Zheng, Xiujun Ren, Die Gao, Qifeng Fu, Kailian Zhang, Zhining Xia, Lujun Wang. (2020) Preparation of an aminophenylboronic acid and N-isopropyl acrylamide copolymer functionalized stationary phase for mixed-mode chromatography. JOURNAL OF CHROMATOGRAPHY A, [PMID:32823118] [10.1016/j.chroma.2020.461423] |
| 4. Huang Xuemin, Zhao Huanan, Qiu Wen, Wang Jian, Guo Longhua, Lin Zhenyu, Pan Wei, Wu Yong, Qiu Bin. (2020) A fluorescence signal amplification strategy for modification-free ratiometric determination of tyrosinase in situ based on the use of dual-templated copper nanoclusters. MICROCHIMICA ACTA, 187 (4): (1-9). [PMID:32198661] [10.1007/s00604-020-4186-y] |
| 5. Yifei Ma, Lijie Zhang, Hong Yang, Shanshan Zhu, Jinhua Liu. (2025) Imidazole-triggered in situ fluorescence reaction system for quantitatively determination of dopamine from multiple sources. TALANTA, [PMID:40157196] [10.1016/j.talanta.2025.127975] |
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