| CAS Number | 1260423-70-8 |
| Catalog Number | AG00J31S(AGN-PC-0WB7CN) |
| Chemical Name | 1-(4-Methoxybenzyl)-2-piperazinone hydrochloride |
| IUPAC Name | 1-[(4-methoxyphenyl)methyl]piperazin-2-one;hydrochloride |
| InChI | InChI=1S/C12H16N2O2.ClH/c1-16-11-4-2-10(3-5-11)9-14-7-6-13-8-12(14)15;/h2-5,13H,6-9H2,1H3;1H |
| InChI Key | WOJFELLSLCOWFG-UHFFFAOYSA-N |
| MDL Number | MFCD28024813 |
| Molecular Formula | C12H17ClN2O2 |
| Molecular Weight | 256.7286 |
| SMILES | COc1ccc(cc1)CN1CCNCC1=O.Cl |
| Synonyms | 1-(4-methoxybenzyl)-2-piperazinone hydrochloride,
1260423-70-8,
ZX-CM011226,
MFCD28024813,
AKOS025147288,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.73g/mol |
| Monoisotopic Mass | 256.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number