≥95% 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.
| Canonical Smiles | CC(C)NCC(C1=CC(=C(C=C1)O)O)O.C(C(C(=O)O)O)(C(=O)O)O |
|---|---|
| IUPAC Name | (2R,3R)-2,3-dihydroxybutanedioic acid;4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol |
| InChIKey | LBOPECYONBDFEM-VUAFVNRWSA-N |
| INCHI | 1S/C11H17NO3.C4H6O6/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;5-1(3(7)8)2(6)4(9)10/h3-5,7,11-15H,6H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;1-,2-/m11/s1 |
| Isomeric SMILES | CC(C)NC[C@H](C1=CC(=C(C=C1)O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
| PubChem CID | 2724018 |
| Molecular Weight | 361.35 |
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 |
| Class | Phenols |
| Subclass | Benzenediols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Catechols |
| Alternative Parents | Sugar acids and derivatives Short-chain hydroxy acids and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Beta hydroxy acids and derivatives Aralkylamines Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Benzene and substituted derivatives Secondary alcohols 1,2-aminoalcohols Dialkylamines Carboxylic acids Aromatic alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Not available |
| Substituents | Catechol - Short-chain hydroxy acid - Sugar acid - Aralkylamine - Beta-hydroxy acid - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Alpha-hydroxy acid - 1,2-aminoalcohol - Secondary alcohol - Carboxylic acid - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety. |
| External Descriptors | Not available |
| Molecular Weight | 361.340 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 361.137 Da |
| Monoisotopic Mass | 361.137 Da |
| Topological Polar Surface Area | 188.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 320.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 | 2 |
