| CAS Number | 885459-76-7 |
| Catalog Number | AG00GUHA(AGN-PC-0WOTTS) |
| Chemical Name | 2-chloro-1-(4-methylpiperidin-1-yl)propan-1-one |
| IUPAC Name | 2-chloro-1-(4-methylpiperidin-1-yl)propan-1-one |
| InChI | InChI=1S/C9H16ClNO/c1-7-3-5-11(6-4-7)9(12)8(2)10/h7-8H,3-6H2,1-2H3 |
| InChI Key | RFQDAOADCODWCR-UHFFFAOYSA-N |
| MDL Number | MFCD06654955 |
| Molecular Formula | C9H16ClNO |
| Molecular Weight | 189.6824 |
| SMILES | CC(C(N1CCC(C)CC1)=O)Cl |
| Synonyms | 1-(2-chloropropanoyl)-4-methylpiperidine,
2-chloro-1-(4-methylpiperidin-1-yl)propan-1-one,
885459-76-7,
AC1NPBIZ,
AC1Q2ATN,
MLS001004120,
CHEMBL1374711,
CTK6C2750,
HMS2715H09,
ALBB-032606,
AKOS000264543,
AKOS016890727,
MCULE-6165852686,
NE13309,
SMR000377779,
EN300-07521,
J-502997,
ZINC03886978,
CID5155622,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.683g/mol |
| Monoisotopic Mass | 189.092g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number