≥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.
| ALogP | 2.4 |
|---|
| Canonical Smiles | CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)N)C(=O)OC)C)C |
|---|---|
| IUPAC Name | 5-O-ethyl 3-O-methyl 4-(3-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| InChIKey | MHIDUZTVAKDYMR-UHFFFAOYSA-N |
| INCHI | 1S/C18H22N2O4/c1-5-24-18(22)15-11(3)20-10(2)14(17(21)23-4)16(15)12-7-6-8-13(19)9-12/h6-9,16,20H,5,19H2,1-4H3 |
| Isomeric SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)N)C(=O)OC)C)C |
| PubChem CID | 15270288 |
| Molecular Weight | 330.4 |
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 | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Hydropyridines |
| Intermediate Tree Nodes | Dihydropyridines |
| Direct Parent | Dihydropyridinecarboxylic acids and derivatives |
| Alternative Parents | Aniline and substituted anilines Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Enoate esters Amino acids and derivatives Enamines Dialkylamines Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Dihydropyridinecarboxylic acid derivative - Aniline or substituted anilines - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Methyl ester - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Enamine - Secondary aliphatic amine - Carboxylic acid derivative - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group. |
| External Descriptors | Not available |
| Molecular Weight | 330.400 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 330.158 Da |
| Monoisotopic Mass | 330.158 Da |
| Topological Polar Surface Area | 90.700 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 580.000 |
| 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 |
