| CAS Number | 1375472-27-7 |
| Catalog Number | AG019T8O(AGN-PC-0WO1BM) |
| Chemical Name | 1-[2-(propan-2-yloxy)ethanesulfonyl]piperazine |
| IUPAC Name | 1-(2-propan-2-yloxyethylsulfonyl)piperazine |
| InChI | InChI=1S/C9H20N2O3S/c1-9(2)14-7-8-15(12,13)11-5-3-10-4-6-11/h9-10H,3-8H2,1-2H3 |
| InChI Key | CTHKWQWDLKZLBE-UHFFFAOYSA-N |
| MDL Number | MFCD21602508 |
| Molecular Formula | C9H20N2O3S |
| Molecular Weight | 236.3317 |
| SMILES | CC(OCCS(N1CCNCC1)(=O)=O)C |
| Synonyms | 1-[2-(propan-2-yloxy)ethanesulfonyl]piperazine,
1375472-27-7,
1-((2-Isopropoxyethyl)sulfonyl)piperazine,
1-{[2-(propan-2-yloxy)ethane]sulfonyl}piperazine,
ZINC72266387,
AKOS017590741,
MCULE-8174100005,
NE24063,
Z1324054939,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.33g/mol |
| Monoisotopic Mass | 236.119g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
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