| CAS Number | 1803600-22-7 |
| Catalog Number | AG01AG82(AGN-PC-0WOTWI) |
| Chemical Name | 3-Methoxy-3-(trifluoromethyl)piperidine hydrochloride |
| IUPAC Name | 3-methoxy-3-(trifluoromethyl)piperidine;hydrochloride |
| InChI | InChI=1S/C7H12F3NO.ClH/c1-12-6(7(8,9)10)3-2-4-11-5-6;/h11H,2-5H2,1H3;1H |
| InChI Key | GMUGVCTYTVHHFN-UHFFFAOYSA-N |
| MDL Number | MFCD27920370 |
| Molecular Formula | C7H13ClF3NO |
| Molecular Weight | 219.6324 |
| SMILES | Cl.COC1(CNCCC1)C(F)(F)F |
| Synonyms | 3-methoxy-3-(trifluoromethyl)piperidine hydrochloride,
1803600-22-7,
AKOS026743435,
NE53990,
EN300-157661,
F8888-2949,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.632g/mol |
| Monoisotopic Mass | 219.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number