| CAS Number | 1048921-11-4 |
| Catalog Number | AG00946T(AGN-PC-0WA47V) |
| Chemical Name | 1-[4-(Propane-2-sulfonyl)phenyl]piperazine |
| IUPAC Name | 1-(4-propan-2-ylsulfonylphenyl)piperazine |
| InChI | InChI=1S/C13H20N2O2S/c1-11(2)18(16,17)13-5-3-12(4-6-13)15-9-7-14-8-10-15/h3-6,11,14H,7-10H2,1-2H3 |
| InChI Key | ZLUCBCOJCIZPEX-UHFFFAOYSA-N |
| MDL Number | MFCD09953191 |
| Molecular Formula | C13H20N2O2S |
| Molecular Weight | 268.3751 |
| SMILES | CC(S(=O)(=O)c1ccc(cc1)N1CCNCC1)C |
| Synonyms | 1-[4-(Propane-2-sulfonyl)phenyl]piperazine,
1048921-11-4,
KM4036,
ZINC39320841,
AKOS022368733,
Z6766,
1-[(4-ISOPROPYLSULFONYL)PHENYL]PIPERAZINE,
C13H20N2O2S,
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| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.375g/mol |
| Monoisotopic Mass | 268.125g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number