| CAS Number | 1171550-67-6 |
| Catalog Number | AG00HDTG(AGN-PC-0WR4FE) |
| Chemical Name | 1-(4-Ethylbenzoyl)piperazine hydrochloride |
| IUPAC Name | (4-ethylphenyl)-piperazin-1-ylmethanone;hydrochloride |
| InChI | InChI=1S/C13H18N2O.ClH/c1-2-11-3-5-12(6-4-11)13(16)15-9-7-14-8-10-15;/h3-6,14H,2,7-10H2,1H3;1H |
| InChI Key | CUOHTQROBQOPNS-UHFFFAOYSA-N |
| MDL Number | MFCD09971555 |
| Molecular Formula | C13H19ClN2O |
| Molecular Weight | 254.7558 |
| SMILES | Cl.CCC1=CC=C(C(N2CCNCC2)=O)C=C1 |
| Synonyms | 1-(4-ethylbenzoyl)piperazine hydrochloride,
1171550-67-6,
AC1Q39NO,
CTK6D1262,
1-(4-Ethylbenzoyl)piperazine, HCl,
MFCD09971555,
AKOS026850557,
MCULE-6780927050,
NE28363,
EN300-31758,
|
| 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