| CAS Number | 1172550-38-7 |
| Catalog Number | AG019UQY |
| Chemical Name | 3-Amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one dihydrochloride |
| IUPAC Name | 3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride |
| InChI | InChI=1S/C13H18FN3O.2ClH/c14-11-1-3-12(4-2-11)16-7-9-17(10-8-16)13(18)5-6-15;;/h1-4H,5-10,15H2;2*1H |
| InChI Key | BZIHBRSRESVXJL-UHFFFAOYSA-N |
| MDL Number | MFCD11857916 |
| Molecular Formula | C13H20Cl2FN3O |
| Molecular Weight | 324.2218 |
| SMILES | Cl.Cl.NCCC(N1CCN(C2=CC=C(F)C=C2)CC1)=O |
| Synonyms | 3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one dihydrochloride,
1172550-38-7,
AC1Q3AUH,
CTK7E7078,
AKOS008101242,
MCULE-2145557441,
NE15313,
EN300-42569,
Z432066954,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.221g/mol |
| Monoisotopic Mass | 323.097g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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