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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl.Cl.Cl |
|---|---|
| IUPAC Name | 1,4-bis[(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride |
| InChIKey | DLEQNCKNBPYHEY-UHFFFAOYSA-N |
| INCHI | 1S/C30H28Cl2N2.2ClH/c31-27-15-11-25(12-16-27)29(23-7-3-1-4-8-23)33-19-21-34(22-20-33)30(24-9-5-2-6-10-24)26-13-17-28(32)18-14-26;;/h1-18,29-30H,19-22H2;2*1H |
| Isómeros SMILES | C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl.Cl.Cl |
| PubChem CID | 24720891 |
| Peso molecular | 560.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | N-alkylpiperazines Chlorobenzenes Aralkylamines Aryl chlorides Trialkylamines Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diphenylmethane - Chlorobenzene - Aralkylamine - N-alkylpiperazine - Halobenzene - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrochloride - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
| Peso molecular | 560.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 560.113 Da |
| Monoisotopic Mass | 558.116 Da |
| Topological Polar Surface Area | 6.500 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 527.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 3 |