| CAS Number | 1240527-10-9 |
| Catalog Number | AG01A93J |
| Chemical Name | 2-(4-methylphenyl)-1-(piperazin-1-yl)ethan-1-one hydrochloride |
| IUPAC Name | 2-(4-methylphenyl)-1-piperazin-1-ylethanone;hydrochloride |
| InChI | InChI=1S/C13H18N2O.ClH/c1-11-2-4-12(5-3-11)10-13(16)15-8-6-14-7-9-15;/h2-5,14H,6-10H2,1H3;1H |
| InChI Key | YBZNEBJHFZXFAB-UHFFFAOYSA-N |
| MDL Number | MFCD16547623 |
| Molecular Formula | C13H19ClN2O |
| Molecular Weight | 254.7558 |
| SMILES | Cl.CC1=CC=C(CC(N2CCNCC2)=O)C=C1 |
| Synonyms | 2-(4-methylphenyl)-1-(piperazin-1-yl)ethan-1-one hydrochloride,
1240527-10-9,
AC1Q39GA,
AKOS025440146,
NE32394,
EN300-64091,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.758g/mol |
| Monoisotopic Mass | 254.119g/mol |
| Rotatable Bond Count | 2 |
| 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