| CAS Number | 1365968-80-4 |
| Catalog Number | AG01FANC(AGN-PC-3H49G5) |
| Chemical Name | 3,5-Dichlorobenzylpiperazine dihydrochloride |
| IUPAC Name | 1-[(3,5-dichlorophenyl)methyl]piperazine;dihydrochloride |
| InChI | InChI=1S/C11H14Cl2N2.2ClH/c12-10-5-9(6-11(13)7-10)8-15-3-1-14-2-4-15;;/h5-7,14H,1-4,8H2;2*1H |
| InChI Key | CZWFDKNWYKYJEX-UHFFFAOYSA-N |
| MDL Number | MFCD12406799 |
| Molecular Formula | C11H16Cl4N2 |
| Molecular Weight | 318.0701 |
| SMILES | C1N(CC2=CC(Cl)=CC(Cl)=C2)CCNC1.Cl[H].Cl[H] |
| Synonyms | 3,5-Dichlorobenzylpiperazine dihydrochloride,
1365968-80-4,
SCHEMBL17062037,
CZWFDKNWYKYJEX-UHFFFAOYSA-N,
MFCD12406799,
AKOS027444554,
1-(3,5-Dichlorobenzyl)piperazine dihydrochloride,
1-[(3,5-Dichlorophenyl)methyl]piperazine 2HCl,
1-[(3,5-Dichlorophenyl)methyl]piperazine dihydrochloride,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.063g/mol |
| Monoisotopic Mass | 316.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number