![N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate(V)](https://resource.bocsci.com/structure/249561-98-6.gif)
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| IUPAC Name: | [(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;hexafluorophosphate |
| Description: | N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate(V) (CAS# 249561-98-6) is used in the preparation of etoricoxib (E934100). N-[2-Chloro-3-(dimethylamino)-2-propen-1-ylidene]-N-methylmethanaminium Hexafluorophosphate is a thermally shock stable and non-hygroscopic solid. |
| Molecular Weight: | 306.62 |
| Molecular Formula: | C7H14ClN2.F6P |
| Canonical SMILES: | CN(C)C=C(C=[N+](C)C)Cl.F[P-](F)(F)(F)(F)F |
| InChI: | InChI=1S/C7H14ClN2.F6P/c1-9(2)5-7(8)6-10(3)4;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1 |
| InChI Key: | PIUHAULDXSPPQV-UHFFFAOYSA-N |
| LogP: | 4.35350 |
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