≥98%(HPLC) 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.
| Pubchem Sid | 528764924 |
|---|---|
| Sourires canoniques | CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)CN3CCCCC3 |
| IUPAC Name | 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone |
| InChIKey | VXQIPRWKLACSKZ-UHFFFAOYSA-N |
| INCHI | 1S/C19H23ClN2O/c1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17/h6-9,12H,3-5,10-11,13H2,1-2H3 |
| Isomères SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)CN3CCCCC3 |
| Poids moléculaire | 330.85 |
| Reaxy-Rn | 21663581 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21663581&ln= |
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 | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrroles |
| Alternative Parents | Aryl alkyl ketones Chlorobenzenes Piperidines Aryl chlorides Vinylogous amides Heteroaromatic compounds Alpha-amino ketones Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-phenylpyrrole - Aryl ketone - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Heteroaromatic compound - Alpha-aminoketone - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Amine - Organochloride - Organohalogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Article |
|---|---|---|---|
 K2221005 | Certificate of Analysis | Sep 09, 2022 | I288097 |
| K2221006 | Certificate of Analysis | Sep 09, 2022 | I288097 |
| K2221007 | Certificate of Analysis | Sep 09, 2022 | I288097 |
| K2221008 | Certificate of Analysis | Sep 09, 2022 | I288097 |
| K2221033 | Certificate of Analysis | Sep 09, 2022 | I288097 |
| Solubilité | Solvent:DMSO, Max Conc. mg/mL: 3.31, Max Conc. mM: 10 with gentle warming |
|---|---|
| Poids moléculaire | 330.800 g/mol |
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 330.15 Da |
| Monoisotopic Mass | 330.15 Da |
| Topological Polar Surface Area | 25.200 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 402.000 |
| 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 |
