| CAS Number | 1221722-69-5 |
| Catalog Number | AG01A7QD(AGN-PC-0WOUFY) |
| Chemical Name | 3,3,3-Trifluoro-1-(piperazin-1-yl)propan-1-one hydrochloride |
| IUPAC Name | 3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one;hydrochloride |
| InChI | InChI=1S/C7H11F3N2O.ClH/c8-7(9,10)5-6(13)12-3-1-11-2-4-12;/h11H,1-5H2;1H |
| InChI Key | VSAYMYVJEZKLEG-UHFFFAOYSA-N |
| MDL Number | MFCD14705777 |
| Molecular Formula | C7H12ClF3N2O |
| Molecular Weight | 232.6312 |
| SMILES | Cl.FC(CC(N1CCNCC1)=O)(F)F |
| Synonyms | 3,3,3-trifluoro-1-(piperazin-1-yl)propan-1-one hydrochloride,
1221722-69-5,
AC1Q3C8L,
CTK7G3512,
AKOS008093174,
MCULE-7724216457,
NE46425,
EN300-59535,
Z1262246195,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.631g/mol |
| Monoisotopic Mass | 232.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number