| CAS Number | 951004-19-6 |
| Catalog Number | AG01BTD9 |
| Chemical Name | N-(Piperidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine dihydrochloride |
| IUPAC Name | N-piperidin-4-yl-4-(trifluoromethyl)pyrimidin-2-amine;dihydrochloride |
| InChI | InChI=1S/C10H13F3N4.2ClH/c11-10(12,13)8-3-6-15-9(17-8)16-7-1-4-14-5-2-7;;/h3,6-7,14H,1-2,4-5H2,(H,15,16,17);2*1H |
| InChI Key | UFYJUDXTKBVLOY-UHFFFAOYSA-N |
| MDL Number | MFCD27995903 |
| Molecular Formula | C10H15Cl2F3N4 |
| Molecular Weight | 319.1541 |
| SMILES | Cl.Cl.FC(C1=NC(NC2CCNCC2)=NC=C1)(F)F |
| Synonyms | N-(Piperidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine dihydrochloride,
951004-19-6,
SCHEMBL3775270,
UFYJUDXTKBVLOY-UHFFFAOYSA-N,
AKOS026748045,
KS-8735,
F2167-3943,
Z2740783041,
Piperidin-4-yl-(4-trifluoromethyl-pyrimidin-2-yl)-amine dihydrochloride,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.153g/mol |
| Monoisotopic Mass | 318.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number