≥97% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504756525 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756525 |
| Canonical Smiles | C1=CC(=CC=C1CC(C(=O)O)N)OC2=CC=C(C=C2)O |
| IUPAC Name | 2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid |
| InChIKey | KKCIOUWDFWQUBT-UHFFFAOYSA-N |
| INCHI | 1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19) |
| Isomeric SMILES | C1=CC(=CC=C1CC(C(=O)O)N)OC2=CC=C(C=C2)O |
| PubChem CID | 102544 |
| Molecular Weight | 273.29 |
| Reaxy-Rn | 2947040 |
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 | Diphenylethers Phenylpropanoic acids Diarylethers Alpha amino acids Amphetamines and derivatives Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalanine or derivatives - Diphenylether - Diaryl ether - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Amino acid - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Primary amine - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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 | a small molecule |
| Melt Point(°C) | 184-190℃ |
|---|---|
| Molecular Weight | 273.280 g/mol |
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 273.1 Da |
| Monoisotopic Mass | 273.1 Da |
| Topological Polar Surface Area | 92.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 307.000 |
| 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 |
L2122099