| CAS Number | 877858-51-0 |
| Catalog Number | AG019VSI |
| Chemical Name | 1-(4-Methylphenyl)-2-(piperazin-1-yl)ethan-1-one dihydrochloride |
| IUPAC Name | 1-(4-methylphenyl)-2-piperazin-1-ylethanone;dihydrochloride |
| InChI | InChI=1S/C13H18N2O.2ClH/c1-11-2-4-12(5-3-11)13(16)10-15-8-6-14-7-9-15;;/h2-5,14H,6-10H2,1H3;2*1H |
| InChI Key | FPZWGDPUGJGOHS-UHFFFAOYSA-N |
| MDL Number | MFCD12197234 |
| Molecular Formula | C13H20Cl2N2O |
| Molecular Weight | 291.2167 |
| SMILES | Cl.Cl.CC1=CC=C(C(CN2CCNCC2)=O)C=C1 |
| Synonyms | 1-(4-methylphenyl)-2-(piperazin-1-yl)ethan-1-one dihydrochloride,
877858-51-0,
AC1Q3A7R,
SCHEMBL1495931,
CTK7F7044,
FPZWGDPUGJGOHS-UHFFFAOYSA-N,
MCULE-8726670172,
NE55550,
EN300-49070,
2-piperazin-1-yl-1-p-tolyl-ethanone Dihydrochloride,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.216g/mol |
| Monoisotopic Mass | 290.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number