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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N |
|---|---|
| IUPAC Name | 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid |
| InChIKey | NYPYHUZRZVSYKL-UHFFFAOYSA-N |
| INCHI | 1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15) |
| Isomeric SMILES | C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N |
| Alternate CAS | 18835-59-1 ;16711-71-0;300-39-0 |
| Molecular Weight | 432.98 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Tyrosine and derivatives |
| Alternative Parents | Phenylalanine and derivatives Phenylpropanoic acids Alpha amino acids Amphetamines and derivatives O-iodophenols Aralkylamines Iodobenzenes Aryl iodides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organoiodides Monoalkylamines |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Tyrosine or derivatives - Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - 2-iodophenol - 2-halophenol - Iodobenzene - Halobenzene - Phenol - Aralkylamine - Aryl halide - Benzenoid - Aryl iodide - Monocyclic benzene moiety - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Primary aliphatic amine - Organoiodide - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
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| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Dec 17, 2025 | A1074051 | |
| Certificate of Analysis | Dec 17, 2025 | A1074051 | |
| Certificate of Analysis | Dec 17, 2025 | A1074051 | |
| Certificate of Analysis | Dec 17, 2025 | A1074051 |
| Molecular Weight | 432.980 g/mol |
|---|---|
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 432.867 Da |
| Monoisotopic Mass | 432.867 Da |
| Topological Polar Surface Area | 83.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 227.000 |
| 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 |