| CAS Number | 1423033-22-0 |
| Catalog Number | AG01A1EP |
| Chemical Name | 2-(3,5-dimethylphenoxy)-1-(piperazin-1-yl)ethan-1-one hydrochloride |
| IUPAC Name | 2-(3,5-dimethylphenoxy)-1-piperazin-1-ylethanone;hydrochloride |
| InChI | InChI=1S/C14H20N2O2.ClH/c1-11-7-12(2)9-13(8-11)18-10-14(17)16-5-3-15-4-6-16;/h7-9,15H,3-6,10H2,1-2H3;1H |
| InChI Key | NLKRSGKFEBNZKG-UHFFFAOYSA-N |
| MDL Number | MFCD22421816 |
| Molecular Formula | C14H21ClN2O2 |
| Molecular Weight | 284.7817 |
| SMILES | Cl.CC1=CC(OCC(N2CCNCC2)=O)=CC(C)=C1 |
| Synonyms | 2-(3,5-dimethylphenoxy)-1-(piperazin-1-yl)ethan-1-one hydrochloride,
1423033-22-0,
MCULE-6678816137,
NE26905,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.784g/mol |
| Monoisotopic Mass | 284.129g/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