≥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 | 504769454 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769454 |
| Canonical Smiles | CC(C1=C(C(=CC(=C1)Cl)OC)OC)NC2=C(C=CC(=C2)N3CCNCC3)S(=O)(=O)C.Cl |
| IUPAC Name | N-[1-(5-chloro-2,3-dimethoxyphenyl)ethyl]-2-methylsulfonyl-5-piperazin-1-ylaniline;hydrochloride |
| InChIKey | PILCQJJJAFRKHO-UHFFFAOYSA-N |
| INCHI | 1S/C21H28ClN3O4S.ClH/c1-14(17-11-15(22)12-19(28-2)21(17)29-3)24-18-13-16(25-9-7-23-8-10-25)5-6-20(18)30(4,26)27;/h5-6,11-14,23-24H,7-10H2,1-4H3;1H |
| Isomeric SMILES | CC(C1=C(C(=CC(=C1)Cl)OC)OC)NC2=C(C=CC(=C2)N3CCNCC3)S(=O)(=O)C.Cl |
| PubChem CID | 23653584 |
| Molecular Weight | 490.44 |
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 | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Sulfonylanilines Dimethoxybenzenes Benzenesulfonyl compounds Phenylalkylamines Phenoxy compounds Anisoles Dialkylarylamines Secondary alkylarylamines Alkyl aryl ethers Chlorobenzenes Aryl chlorides Sulfones Azacyclic compounds Dialkylamines Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Sulfonylaniline - Dimethoxybenzene - O-dimethoxybenzene - Benzenesulfonyl group - Anisole - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Aralkylamine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Sulfonyl - Sulfone - Tertiary amine - Secondary amine - Azacycle - Secondary aliphatic amine - Ether - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrochloride - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| 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 | Item |
|---|---|---|---|
 K2524168 | Certificate of Analysis | Dec 05, 2025 | P287324 |
| J2116142 | Certificate of Analysis | Jul 10, 2024 | P287324 |
| J2116143 | Certificate of Analysis | Jul 10, 2024 | P287324 |
| J2116145 | Certificate of Analysis | Jul 10, 2024 | P287324 |
| Solubility | Solvent:water, Max Conc. mg/mL: 9.81, Max Conc. mM: 20 with gentle warming; Solvent:DMSO, Max Conc. mg/mL: 49.04, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 490.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 489.126 Da |
| Monoisotopic Mass | 489.126 Da |
| Topological Polar Surface Area | 88.300 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 641.000 |
| 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 | 2 |
