| CAS Number | 1255718-12-7 |
| Catalog Number | AG00J12P(AGN-PC-0WB69F) |
| Chemical Name | 1-(3,5-Dimethylbenzyl)-2-piperazinone hydrochloride |
| IUPAC Name | 1-[(3,5-dimethylphenyl)methyl]piperazin-2-one;hydrochloride |
| InChI | InChI=1S/C13H18N2O.ClH/c1-10-5-11(2)7-12(6-10)9-15-4-3-14-8-13(15)16;/h5-7,14H,3-4,8-9H2,1-2H3;1H |
| InChI Key | WIRMYUHQJTWEJV-UHFFFAOYSA-N |
| MDL Number | MFCD07781112 |
| Molecular Formula | C13H19ClN2O |
| Molecular Weight | 254.7558 |
| SMILES | CC1=CC(=CC(=C1)CN2CCNCC2=O)C.Cl |
| Synonyms | 1-(3,5-dimethylbenzyl)-2-piperazinone hydrochloride,
1255718-12-7,
ZX-CM002714,
MFCD07781112,
AKOS027426230,
MCULE-2900047112,
1-(3,5-Dimethylbenzyl)piperazin-2-one hydrochloride,
1-(3,5-Dimethylbenzyl)piperazin-2-one hydrochloride, AldrichCPR,
|
| Complexity | 244 |
| 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