| CAS Number | 872593-01-6 |
| Catalog Number | AG01ACRB(AGN-PC-0VBLWN) |
| Chemical Name | 1-[4-(Trifluoromethyl)pyridin-2-yl]piperazine dihydrochloride |
| IUPAC Name | 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine;dihydrochloride |
| InChI | InChI=1S/C10H12F3N3.2ClH/c11-10(12,13)8-1-2-15-9(7-8)16-5-3-14-4-6-16;;/h1-2,7,14H,3-6H2;2*1H |
| InChI Key | IFRHZRWWEOGHEV-UHFFFAOYSA-N |
| MDL Number | MFCD26936094 |
| Molecular Formula | C10H14Cl2F3N3 |
| Molecular Weight | 304.1395 |
| SMILES | Cl.Cl.FC(C1=CC(N2CCNCC2)=NC=C1)(F)F |
| Synonyms | 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine dihydrochloride,
872593-01-6,
SCHEMBL3327814,
IFRHZRWWEOGHEV-UHFFFAOYSA-N,
NE46436,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.138g/mol |
| Monoisotopic Mass | 303.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number