| CAS Number | 117623-50-4 |
| Catalog Number | AG008Z4I(AGN-PC-0NZCEJ) |
| Chemical Name | 2,2-Dimethyl-1-(phenylmethyl)-4-piperidinone hydrochloride |
| IUPAC Name | 1-benzyl-2,2-dimethylpiperidin-4-one;hydrochloride |
| InChI | InChI=1S/C14H19NO.ClH/c1-14(2)10-13(16)8-9-15(14)11-12-6-4-3-5-7-12;/h3-7H,8-11H2,1-2H3;1H |
| InChI Key | IOWNKVTXGIXEIP-UHFFFAOYSA-N |
| MDL Number | MFCD28100443 |
| Molecular Formula | C14H20ClNO |
| Molecular Weight | 253.7677 |
| SMILES | Cl.C(C1=CC=CC=C1)N1C(CC(CC1)=O)(C)C |
| Synonyms | 117623-50-4,
1-Benzyl-2,2-dimethylpiperidin-4-one hydrochloride,
1-Benzyl-2,2-dimethylpiperidin-4-one HCl,
1-Benzyl-2,2-dimethyl-4-piperidone Hydrochloride,
2,2-Dimethyl-1-(phenylmethyl)-4-piperidinone hydrochloride,
KS-00000SWZ,
MFCD28100443,
AKOS025287403,
DS-9553,
AC-29475,
AK167682,
AX8273509,
1-benzyl-2,2-dimethylpiperidin-4-one;hydrochloride,
117623-46-8,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.77g/mol |
| Monoisotopic Mass | 253.123g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number