| CAS Number | 1211640-22-0 |
| Catalog Number | AG019XLF |
| Chemical Name | N-Methyl-n-([3-(trifluoromethyl)phenyl]methyl)piperidin-4-amine dihydrochloride |
| IUPAC Name | N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;dihydrochloride |
| InChI | InChI=1S/C14H19F3N2.2ClH/c1-19(13-5-7-18-8-6-13)10-11-3-2-4-12(9-11)14(15,16)17;;/h2-4,9,13,18H,5-8,10H2,1H3;2*1H |
| InChI Key | YUJOJUTWMWCJHN-UHFFFAOYSA-N |
| MDL Number | MFCD13196211 |
| Molecular Formula | C14H21Cl2F3N2 |
| Molecular Weight | 345.2311 |
| SMILES | Cl.Cl.CN(C1CCNCC1)CC1=CC(C(F)(F)F)=CC=C1 |
| Synonyms | N-methyl-N-{[3-(trifluoromethyl)phenyl]methyl}piperidin-4-amine dihydrochloride,
1211640-22-0,
AC1Q3AHZ,
CTK6H9980,
AKOS008137243,
MCULE-5173898438,
NE26540,
EN300-55319,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.231g/mol |
| Monoisotopic Mass | 344.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number