| CAS Number | 1181458-47-8 |
| Catalog Number | AG019VI3 |
| Chemical Name | 1-(4-propylbenzenesulfonyl)piperazine hydrochloride |
| IUPAC Name | 1-(4-propylphenyl)sulfonylpiperazine;hydrochloride |
| InChI | InChI=1S/C13H20N2O2S.ClH/c1-2-3-12-4-6-13(7-5-12)18(16,17)15-10-8-14-9-11-15;/h4-7,14H,2-3,8-11H2,1H3;1H |
| InChI Key | GJEIVUGQQWDFCW-UHFFFAOYSA-N |
| MDL Number | MFCD12197185 |
| Molecular Formula | C13H21ClN2O2S |
| Molecular Weight | 304.8360 |
| SMILES | Cl.CCCC1=CC=C(S(N2CCNCC2)(=O)=O)C=C1 |
| Synonyms | 1-(4-propylbenzenesulfonyl)piperazine hydrochloride,
1-[(4-propylbenzene)sulfonyl]piperazine hydrochloride,
1181458-47-8,
AC1Q39OV,
CTK8F3046,
AKOS026791651,
MCULE-6468188971,
NE15491,
EN300-45300,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.833g/mol |
| Monoisotopic Mass | 304.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number