| CAS Number | 1798757-72-8 |
| Catalog Number | AG01BDD5(AGN-PC-0WOTON) |
| Chemical Name | 3,3-dimethyl-4-(trifluoromethyl)piperidine hydrochloride |
| IUPAC Name | 3,3-dimethyl-4-(trifluoromethyl)piperidine;hydrochloride |
| InChI | InChI=1S/C8H14F3N.ClH/c1-7(2)5-12-4-3-6(7)8(9,10)11;/h6,12H,3-5H2,1-2H3;1H |
| InChI Key | BNXBKDSPCQRMHZ-UHFFFAOYSA-N |
| MDL Number | MFCD28064248 |
| Molecular Formula | C8H15ClF3N |
| Molecular Weight | 217.6596 |
| SMILES | Cl.CC1(C(C(F)(F)F)CCNC1)C |
| Synonyms | 3,3-dimethyl-4-(trifluoromethyl)piperidine hydrochloride,
1798757-72-8,
AKOS026743282,
MCULE-5485180478,
Z1837073491,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.084512g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.66g/mol |
| Monoisotopic Mass | 217.084512g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number