| CAS Number | 1016506-44-7 |
| Catalog Number | AG019KS5 |
| Chemical Name | 1-(2-chloropropanoyl)piperidine-3-carboxamide |
| IUPAC Name | 1-(2-chloropropanoyl)piperidine-3-carboxamide |
| InChI | InChI=1S/C9H15ClN2O2/c1-6(10)9(14)12-4-2-3-7(5-12)8(11)13/h6-7H,2-5H2,1H3,(H2,11,13) |
| InChI Key | CWSRTEPZYFRXCX-UHFFFAOYSA-N |
| MDL Number | MFCD09929335 |
| Molecular Formula | C9H15ClN2O2 |
| Molecular Weight | 218.6806 |
| SMILES | CC(C(N1CC(C(N)=O)CCC1)=O)Cl |
| Synonyms | 1-(2-chloropropanoyl)piperidine-3-carboxamide,
EN300-28177,
1016506-44-7,
AC1Q2ATT,
CTK7D2764,
AKOS000172546,
AKOS030705876,
BBV-061857,
FCH5739938,
MCULE-8121425741,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.681g/mol |
| Monoisotopic Mass | 218.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number