for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| ALogP | 0.7 |
|---|
| Sourires canoniques | CC1=CC(=C(C=C1OCC(=O)O)C)CCNC(C)C(C2=CC=C(C=C2)O)O |
|---|---|
| IUPAC Name | 2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-2,5-dimethylphenoxy]acetic acid |
| InChIKey | VMMYRRFPMAGXNP-BTYIYWSLSA-N |
| INCHI | 1S/C21H27NO5/c1-13-11-19(27-12-20(24)25)14(2)10-17(13)8-9-22-15(3)21(26)16-4-6-18(23)7-5-16/h4-7,10-11,15,21-23,26H,8-9,12H2,1-3H3,(H,24,25)/t15-,21-/m0/s1 |
| Isomères SMILES | CC1=CC(=C(C=C1OCC(=O)O)C)CCN[C@@H](C)[C@@H](C2=CC=C(C=C2)O)O |
| PubChem CID | 9820882 |
| Poids moléculaire | 373.4 |
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 | Benzenoids |
| Classe | Benzene and substituted derivatives |
| Subclass | Phenoxyacetic acid derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenoxyacetic acid derivatives |
| Alternative Parents | Phenethylamines Phenylpropanes p-Xylenes Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines 1,2-aminoalcohols Amino acids Secondary alcohols Dialkylamines Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxyacetate - Phenethylamine - Phenylpropane - Phenoxy compound - Phenol ether - P-xylene - Xylene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - 1,2-aminoalcohol - Amino acid or derivatives - Amino acid - Secondary alcohol - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative. |
| External Descriptors | Not available |
| Poids moléculaire | 373.400 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 373.189 Da |
| Monoisotopic Mass | 373.189 Da |
| Topological Polar Surface Area | 99.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 452.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
