| CAS Number | 102074-04-4 |
| Catalog Number | AG01DX73(AGN-PC-0NVCEX) |
| Chemical Name | 2,5-Dimethylpiperidin-4-one Hydrochloride |
| IUPAC Name | 2,5-dimethylpiperidin-4-one;hydrochloride |
| InChI | InChI=1S/C7H13NO.ClH/c1-5-4-8-6(2)3-7(5)9;/h5-6,8H,3-4H2,1-2H3;1H |
| InChI Key | YAPQBEFDWHJHJQ-UHFFFAOYSA-N |
| MDL Number | MFCD31616164 |
| Molecular Formula | C7H14ClNO |
| Molecular Weight | 163.6452 |
| SMILES | Cl.CC1NCC(C)C(=O)C1 |
| Synonyms | 2,5-dimethyl-4-piperidone hydrochloride,
2,5-dimethylpiperidin-4-one hydrochloride, Mixture of diastereomers,
102074-04-4,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.645g/mol |
| Monoisotopic Mass | 163.076g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number