| CAS Number | 41511-85-7 |
| Catalog Number | AG00CITR(AGN-PC-0WBSOH) |
| Chemical Name | 1-Methylpiperidin-3-one hydrochloride |
| IUPAC Name | 1-methylpiperidin-3-one;hydrochloride |
| InChI | InChI=1S/C6H11NO.ClH/c1-7-4-2-3-6(8)5-7;/h2-5H2,1H3;1H |
| InChI Key | BLRLPMIRFPMIFG-UHFFFAOYSA-N |
| MDL Number | MFCD18432588 |
| Molecular Formula | C6H12ClNO |
| Molecular Weight | 149.6186 |
| SMILES | O=C1CN(C)CCC1.[H]Cl |
| Synonyms | 1-Methylpiperidin-3-one hydrochloride,
41511-85-7,
1-METHYLPIPERIDIN-3-ONE HCL,
SCHEMBL691436,
DTXSID00504937,
N-methyl-3-piperidone hydrochloride,
9933AH,
MFCD18432588,
1-methylpiperidin-3-one;hydrochloride,
AKOS016845887,
AK-75607,
AX8219994,
1-METHYL-PIPERIDIN-3-ONE HYDROCHLORIDE,
1-Methylpiperidin-3-one--hydrogen chloride (1/1),
C6H11NO.HCl,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.618g/mol |
| Monoisotopic Mass | 149.061g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number