| CAS Number | 1461714-19-1 |
| Catalog Number | AG01AC0A |
| Chemical Name | 1-[(4-fluorophenyl)methyl]-3-methylpiperazine dihydrochloride |
| IUPAC Name | 1-[(4-fluorophenyl)methyl]-3-methylpiperazine;dihydrochloride |
| InChI | InChI=1S/C12H17FN2.2ClH/c1-10-8-15(7-6-14-10)9-11-2-4-12(13)5-3-11;;/h2-5,10,14H,6-9H2,1H3;2*1H |
| InChI Key | JWNJIUMZUCSDEX-UHFFFAOYSA-N |
| MDL Number | MFCD26407814 |
| Molecular Formula | C12H19Cl2FN2 |
| Molecular Weight | 281.1971 |
| SMILES | Cl.Cl.CC1NCCN(CC2=CC=C(F)C=C2)C1 |
| Synonyms | 1-[(4-fluorophenyl)methyl]-3-methylpiperazine dihydrochloride,
1461714-19-1,
NE44239,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.196g/mol |
| Monoisotopic Mass | 280.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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