| CAS Number | 1343349-82-5 |
| Catalog Number | AG009JT6(AGN-PC-0C3UYK) |
| Chemical Name | 1-(1-(Methylsulfonyl)piperidin-4-yl)ethanone |
| IUPAC Name | 1-(1-methylsulfonylpiperidin-4-yl)ethanone |
| InChI | InChI=1S/C8H15NO3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h8H,3-6H2,1-2H3 |
| InChI Key | LZIRKRXTWVPKQZ-UHFFFAOYSA-N |
| MDL Number | MFCD18898953 |
| Molecular Formula | C8H15NO3S |
| Molecular Weight | 205.2746 |
| SMILES | CC(C1CCN(S(C)(=O)=O)CC1)=O |
| Synonyms | 1-(1-(Methylsulfonyl)piperidin-4-yl)ethanone,
1343349-82-5,
1-(1-methanesulfonylpiperidin-4-yl)ethan-1-one,
1-[1-(Methanesulfonyl)piperidin-4-yl]ethan-1-one,
SCHEMBL12437005,
DTXSID20728431,
6185AA,
ZINC82645372,
AKOS013159819,
AJ-125508,
1-(1-Methanesulfonyl-piperidin-4-yl)-ethanone,
C8H15NO3S,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.272g/mol |
| Monoisotopic Mass | 205.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number