| CAS Number | 1365836-40-3 |
| Catalog Number | AG01A0S0 |
| Chemical Name | 2-(piperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide dihydrochloride |
| IUPAC Name | 2-piperazin-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide;dihydrochloride |
| InChI | InChI=1S/C13H16F3N3O.2ClH/c14-13(15,16)10-3-1-2-4-11(10)18-12(20)9-19-7-5-17-6-8-19;;/h1-4,17H,5-9H2,(H,18,20);2*1H |
| InChI Key | OMSSAWFJTNWSAF-UHFFFAOYSA-N |
| MDL Number | MFCD22378770 |
| Molecular Formula | C13H18Cl2F3N3O |
| Molecular Weight | 360.2027 |
| SMILES | Cl.Cl.FC(C1=C(NC(CN2CCNCC2)=O)C=CC=C1)(F)F |
| Synonyms | 2-(piperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide dihydrochloride,
1365836-40-3,
AKOS026018422,
EN300-110860,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 359.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.202g/mol |
| Monoisotopic Mass | 359.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number