≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Canonical Smiles | CN1CCN(CC1)C2=C(C=C(C=C2)Cl)N.Cl.Cl |
|---|---|
| IUPAC Name | 5-chloro-2-(4-methylpiperazin-1-yl)aniline;dihydrochloride |
| InChIKey | WTZBJJRGEWMWJF-UHFFFAOYSA-N |
| INCHI | 1S/C11H16ClN3.2ClH/c1-14-4-6-15(7-5-14)11-3-2-9(12)8-10(11)13;;/h2-3,8H,4-7,13H2,1H3;2*1H |
| Isomeric SMILES | CN1CCN(CC1)C2=C(C=C(C=C2)Cl)N.Cl.Cl |
| PubChem CID | 45792256 |
| Molecular Weight | 298.63 |
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 |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Dialkylarylamines Aniline and substituted anilines N-methylpiperazines Chlorobenzenes Aryl chlorides Trialkylamines Azacyclic compounds Primary amines Organochlorides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Primary amine - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Hydrochloride - 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 |
| Molecular Weight | 298.600 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 297.057 Da |
| Monoisotopic Mass | 297.057 Da |
| Topological Polar Surface Area | 32.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 204.000 |
| 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 | 3 |
