| CAS Number | 907561-37-9 |
| Catalog Number | AG01B6TX(AGN-PC-0WON9S) |
| Chemical Name | 3-(propan-2-yl)piperidin-2-one |
| IUPAC Name | 3-propan-2-ylpiperidin-2-one |
| InChI | InChI=1S/C8H15NO/c1-6(2)7-4-3-5-9-8(7)10/h6-7H,3-5H2,1-2H3,(H,9,10) |
| InChI Key | ZSOCASZOXLDLFC-UHFFFAOYSA-N |
| MDL Number | MFCD19220649 |
| Molecular Formula | C8H15NO |
| Molecular Weight | 141.2108 |
| SMILES | CC(C1C(=O)NCCC1)C |
| Synonyms | 3-(propan-2-yl)piperidin-2-one,
907561-37-9,
3-isopropylpiperidin-2-one,
3-isopropyl piperidone,
SCHEMBL6734281,
AKOS006354835,
F2147-8379,
Z2583036347,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.214g/mol |
| Monoisotopic Mass | 141.115g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number