| CAS Number | 1269151-07-6 |
| Catalog Number | AG01AGPQ |
| Chemical Name | 2-[4-(4-fluorophenyl)piperazin-1-yl]propanoic acid dihydrochloride |
| IUPAC Name | 2-[4-(4-fluorophenyl)piperazin-1-yl]propanoic acid;dihydrochloride |
| InChI | InChI=1S/C13H17FN2O2.2ClH/c1-10(13(17)18)15-6-8-16(9-7-15)12-4-2-11(14)3-5-12;;/h2-5,10H,6-9H2,1H3,(H,17,18);2*1H |
| InChI Key | RUKXIJCWEBVBNY-UHFFFAOYSA-N |
| MDL Number | MFCD18380619 |
| Molecular Formula | C13H19Cl2FN2O2 |
| Molecular Weight | 325.2066 |
| SMILES | Cl.Cl.CC(C(O)=O)N1CCN(C2=CC=C(F)C=C2)CC1 |
| Synonyms | 2-[4-(4-fluorophenyl)piperazin-1-yl]propanoic acid dihydrochloride,
1269151-07-6,
AC1Q3A6I,
MCULE-4645955936,
NE22520,
EN300-72525,
Z234898125,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.205g/mol |
| Monoisotopic Mass | 324.081g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number