≥98% 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.
| Sonrisas canónicas | CCN(CC)CCOC(=O)C1=CN=CC=C1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
|---|---|
| IUPAC Name | 2-(diethylamino)ethyl pyridine-3-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChIKey | IABBAGAOMDWOCW-UHFFFAOYSA-N |
| INCHI | 1S/C12H18N2O2.C6H8O7/c1-3-14(4-2)8-9-16-12(15)11-6-5-7-13-10-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10H,3-4,8-9H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| Isómeros SMILES | CCN(CC)CCOC(=O)C1=CN=CC=C1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| PubChem CID | 92897 |
| Peso molecular | 414.42 |
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 | Organoheterocyclic compounds |
| Clase | Pyridines and derivatives |
| Subclass | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinecarboxylic acids |
| Alternative Parents | Tricarboxylic acids and derivatives Alpha hydroxy acids and derivatives Tertiary alcohols Heteroaromatic compounds Trialkylamines Carboxylic acid esters Amino acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Pyridine carboxylic acid - Tricarboxylic acid or derivatives - Alpha-hydroxy acid - Hydroxy acid - Tertiary alcohol - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Alcohol - Carbonyl group - Organic oxide - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group. |
| External Descriptors | Not available |
| Peso molecular | 414.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 12 |
| Exact Mass | 414.164 Da |
| Monoisotopic Mass | 414.164 Da |
| Topological Polar Surface Area | 175.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 433.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
