| CAS Number | 2138088-44-3 |
| Catalog Number | AG01EHVD |
| Chemical Name | 1-(3,4-Dichlorophenethyl)piperazine dihydrochloride |
| IUPAC Name | 1-[2-(3,4-dichlorophenyl)ethyl]piperazine;dihydrochloride |
| InChI | InChI=1S/C12H16Cl2N2.2ClH/c13-11-2-1-10(9-12(11)14)3-6-16-7-4-15-5-8-16;;/h1-2,9,15H,3-8H2;2*1H |
| InChI Key | AZGSKPMLBKRBPL-UHFFFAOYSA-N |
| MDL Number | MFCD30749424 |
| Molecular Formula | C12H18Cl4N2 |
| Molecular Weight | 332.0967 |
| SMILES | Cl.Cl.ClC1=C(Cl)C=C(CCN2CCNCC2)C=C1 |
| Synonyms | 1-(3,4-Dichlorophenethyl)piperazine Dihydrochloride,
1-[2-(3,4-dichlorophenyl)ethyl]piperazine dihydrochloride,
2138088-44-3,
150208-27-8,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.09g/mol |
| Monoisotopic Mass | 330.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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