| CAS Number | 150208-27-8 |
| Catalog Number | AG01A3P4 |
| Chemical Name | 1-(3,4-Dichlorophenethyl)piperazine |
| IUPAC Name | 1-[2-(3,4-dichlorophenyl)ethyl]piperazine |
| InChI | InChI=1S/C12H16Cl2N2/c13-11-2-1-10(9-12(11)14)3-6-16-7-4-15-5-8-16/h1-2,9,15H,3-8H2 |
| InChI Key | OWINIGBJQWGIJU-UHFFFAOYSA-N |
| MDL Number | MFCD11043128 |
| Molecular Formula | C12H16Cl2N2 |
| Molecular Weight | 259.1748 |
| SMILES | ClC1=C(Cl)C=C(CCN2CCNCC2)C=C1 |
| Synonyms | 1-[2-(3,4-dichlorophenyl)ethyl]piperazine,
150208-27-8,
CHEMBL76336,
Piperazine, 1-[2-(3,4-dichlorophenyl)ethyl]-,
SCHEMBL2291008,
1-(3,4-Dichlorophenethyl)piperazine,
BDBM50044709,
ZINC22940693,
AKOS012346253,
MCULE-5202155144,
NE22675,
1-[2-(3,4-Dichloro-phenyl)-ethyl]-piperazine,
Z1696822395,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.174g/mol |
| Monoisotopic Mass | 258.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number