≥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.
| Sonrisas canónicas | CCC1=C(CN(C1=O)C(=O)NCCC2=CC=CC=C2)C |
|---|---|
| IUPAC Name | 4-ethyl-3-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-1-carboxamide |
| InChIKey | VAQWDIFLYGGQLK-UHFFFAOYSA-N |
| INCHI | 1S/C16H20N2O2/c1-3-14-12(2)11-18(15(14)19)16(20)17-10-9-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H,17,20) |
| Isómeros SMILES | CCC1=C(CN(C1=O)C(=O)NCCC2=CC=CC=C2)C |
| PubChem CID | 29979818 |
| Peso molecular | 272.34 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyrrolines |
| Subclass | Pyrroline carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrroline carboxylic acids and derivatives |
| Alternative Parents | N-acyl ureas Benzene and substituted derivatives Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrroline carboxylic acid or derivatives - N-acyl urea - Ureide - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Urea - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrroline carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrroline ring substituted by one or more carboxylic acid groups (or derivative thereof). |
| External Descriptors | Not available |
| Peso molecular | 272.340 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 272.152 Da |
| Monoisotopic Mass | 272.152 Da |
| Topological Polar Surface Area | 49.400 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 409.000 |
| 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 | 1 |
