| CAS Number | 1250098-88-4 |
| Catalog Number | AG01AL9H |
| Chemical Name | 1-(3-fluorophenyl)-3-methylpiperazine |
| IUPAC Name | 1-(3-fluorophenyl)-3-methylpiperazine |
| InChI | InChI=1S/C11H15FN2/c1-9-8-14(6-5-13-9)11-4-2-3-10(12)7-11/h2-4,7,9,13H,5-6,8H2,1H3 |
| InChI Key | PBEBBCLEHYFDPH-UHFFFAOYSA-N |
| MDL Number | MFCD16842029 |
| Molecular Formula | C11H15FN2 |
| Molecular Weight | 194.2486 |
| SMILES | CC1NCCN(C2=CC(F)=CC=C2)C1 |
| Synonyms | 1-(3-fluorophenyl)-3-methylpiperazine,
1250098-88-4,
AKOS011963798,
Z2216303313,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.253g/mol |
| Monoisotopic Mass | 194.122g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number