| CAS Number | 27064-96-6 |
| Catalog Number | AG01CBCL(AGN-PC-0WG7TJ) |
| Chemical Name | 1-((4-Fluorophenyl)(phenyl)methyl)-4-(3-phenylallyl)piperazine hydrochloride |
| IUPAC Name | 1-[(4-fluorophenyl)-phenylmethyl]-4-(3-phenylprop-2-enyl)piperazine |
| InChI | InChI=1S/C26H27FN2/c27-25-15-13-24(14-16-25)26(23-11-5-2-6-12-23)29-20-18-28(19-21-29)17-7-10-22-8-3-1-4-9-22/h1-16,26H,17-21H2 |
| InChI Key | GGYPVQFLPDMNDG-UHFFFAOYSA-N |
| Molecular Formula | C26H28ClFN2 |
| Molecular Weight | 422.9653 |
| SMILES | Cl.FC1=CC=C(C=C1)C(C=2C=CC=CC2)N3CCN(CC=CC=4C=CC=CC4)CC3 |
| Synonyms | FLUNARIZINE IMPURITY B,
27064-96-6,
|
| Complexity | 479 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 386.216g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 386.514g/mol |
| Monoisotopic Mass | 386.216g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 6.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 5.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number