≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
antispasmodic activity
| ALogP | 2.063 |
|---|---|
| Contagem HBD | 1 |
| Ligação rotativa | 4 |
| Pubchem Sid | 488194094 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194094 |
| Sorrisos canónicos | C1C(C(=O)N(C1=O)C2=CC=CC=C2)NCC3=CC=CC=C3 |
| IUPAC Name | 3-(benzylamino)-1-phenylpyrrolidine-2,5-dione |
| InChIKey | RLYCOAZCWRPZHI-UHFFFAOYSA-N |
| INCHI | 1S/C17H16N2O2/c20-16-11-15(18-12-13-7-3-1-4-8-13)17(21)19(16)14-9-5-2-6-10-14/h1-10,15,18H,11-12H2 |
| SMILES isoméricas | C1C(C(=O)N(C1=O)C2=CC=CC=C2)NCC3=CC=CC=C3 |
| PubChem CID | 2835929 |
| Peso molecular | 280.32 |
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 |
| Classe | Pyrrolidines |
| Subclass | Phenylpyrrolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolidines |
| Alternative Parents | Alpha amino acids and derivatives Phenylmethylamines Benzylamines Aralkylamines Pyrrolidine-2-ones N-substituted carboxylic acid imides Pyrroles Dicarboximides Lactams Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-phenylpyrrolidine - Alpha-amino acid or derivatives - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrrole - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descrição | 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 | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Item |
|---|---|---|---|
 C2327559 | Certificate of Analysis | Jan 16, 2023 | W416902 |
| C2327560 | Certificate of Analysis | Jan 16, 2023 | W416902 |
| C2327561 | Certificate of Analysis | Jan 16, 2023 | W416902 |
| C2327562 | Certificate of Analysis | Jan 16, 2023 | W416902 |
| C2327563 | Certificate of Analysis | Jan 16, 2023 | W416902 |
| C2327564 | Certificate of Analysis | Jan 16, 2023 | W416902 |
| C2327565 | Certificate of Analysis | Jan 16, 2023 | W416902 |
| C2327566 | Certificate of Analysis | Jan 16, 2023 | W416902 |
| C2327571 | Certificate of Analysis | Jan 16, 2023 | W416902 |
| C2327572 | Certificate of Analysis | Jan 16, 2023 | W416902 |
| DMSO (mM) Solubilidade máxima | 10 |
|---|---|
| Peso molecular | 280.320 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 280.121 Da |
| Monoisotopic Mass | 280.121 Da |
| Topological Polar Surface Area | 49.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 384.000 |
| 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 |
