| CAS Number | 91517-27-0 |
| Catalog Number | AG01E8Z3(AGN-PC-0VSOFD) |
| Chemical Name | 2-(3-Methoxyphenyl)piperazine dihydrochloride |
| IUPAC Name | 2-(3-methoxyphenyl)piperazine;dihydrochloride |
| InChI | InChI=1S/C11H16N2O.2ClH/c1-14-10-4-2-3-9(7-10)11-8-12-5-6-13-11;;/h2-4,7,11-13H,5-6,8H2,1H3;2*1H |
| InChI Key | ZPQLCVYVRPREDW-UHFFFAOYSA-N |
| MDL Number | MFCD30539770 |
| Molecular Formula | C11H18Cl2N2O |
| Molecular Weight | 265.1794 |
| SMILES | Cl.Cl.COC1=CC(C2NCCNC2)=CC=C1 |
| Synonyms | 2-(3-methoxyphenyl)piperazine dihydrochloride,
91517-27-0,
Z2753058069,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.178g/mol |
| Monoisotopic Mass | 264.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number