| CAS Number | 1322200-87-2 |
| Catalog Number | AG01F4T7(AGN-PC-3H492A) |
| Chemical Name | N-(3-Fluoro-4-(trifluoromethyl)benzyl)piperidin-4-amine dihydrochloride |
| IUPAC Name | N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;dihydrochloride |
| InChI | InChI=1S/C13H16F4N2.2ClH/c14-12-7-9(1-2-11(12)13(15,16)17)8-19-10-3-5-18-6-4-10;;/h1-2,7,10,18-19H,3-6,8H2;2*1H |
| InChI Key | FNIYWIAELWYYBX-UHFFFAOYSA-N |
| MDL Number | MFCD19381722 |
| Molecular Formula | C13H18Cl2F4N2 |
| Molecular Weight | 349.1950 |
| SMILES | Fc1cc(CNC2CCNCC2)ccc1C(F)(F)F.Cl.Cl |
| Synonyms | 1322200-87-2,
N-[3-Fluoro-4-(trifluoromethyl)benzyl]piperidin-4-amine dihydrochloride,
4-{[3-Fluoro-4-(trifluoromethyl)benzyl]amino}piperidine dihydrochloride,
N-(3-Fluoro-4-(trifluoromethyl)benzyl)piperidin-4-amine dihydrochloride,
ZX-AP009587,
AKOS027386485,
KS-6828,
PC49491,
2-Fluoro-4-{[(piperidin-4-yl)amino]methyl}benzotrifluoride dihydrochloride,
3-Fluoro-N-(piperidin-4-yl)-4-(trifluoromethyl)benzylamine dihydrochloride,
N-(2-Fluoro-5-methoxybenzyl)piperidin-4-amine dihydrochloride,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.195g/mol |
| Monoisotopic Mass | 348.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 24.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number