Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥96% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | 0.8 |
|---|
| Pubchem Sid | 488180172 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180172 |
| Kanonisches Lächeln | CN1C(=O)CC(C1=O)C2=CC=CC=C2 |
| IUPAC Name | 1-methyl-3-phenylpyrrolidine-2,5-dione |
| InChIKey | WLWFNJKHKGIJNW-UHFFFAOYSA-N |
| INCHI | 1S/C11H11NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3 |
| Isomere SMILES | CN1C(=O)CC(C1=O)C2=CC=CC=C2 |
| PubChem CID | 6839 |
| Molekulargewicht | 189.21 |
| Beilstein | 155329 |
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 |
| Klasse | Pyrrolidines |
| Subclass | Phenylpyrrolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolidines |
| Alternative Parents | Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Benzene and substituted derivatives Pyrroles Dicarboximides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpyrrolidine - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Carboxylic acid imide - Dicarboximide - Pyrrole - Lactam - Carboxylic acid derivative - Azacycle - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | pyrrolidines |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Datum | Artikel |
|---|---|---|---|
| Certificate of Analysis | Jan 20, 2026 | P341794 | |
| Certificate of Analysis | Jan 20, 2026 | P341794 | |
| Certificate of Analysis | Jan 20, 2026 | P341794 | |
| Certificate of Analysis | Jan 20, 2026 | P341794 | |
| Certificate of Analysis | Jan 20, 2026 | P341794 | |
| Certificate of Analysis | Jan 20, 2026 | P341794 | |
| Certificate of Analysis | Jan 20, 2026 | P341794 | |
| Certificate of Analysis | Jan 20, 2026 | P341794 | |
| Certificate of Analysis | Jan 20, 2026 | P341794 | |
| Certificate of Analysis | Jan 20, 2026 | P341794 |
| Löslichkeit | Soluble in ethyl acetate, and chloroform. |
|---|---|
| Brechungsindex | n20D1.57 (Predicted) |
| Siedepunkt (°C) | ~351.1° C at 760 mmHg (Predicted) |
| Schmelzpunkt (°C) | 71-72° C |
| Molekulargewicht | 189.210 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 189.079 Da |
| Monoisotopic Mass | 189.079 Da |
| Topological Polar Surface Area | 37.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 256.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →