| CAS Number | 1217241-15-0 |
| Catalog Number | AG009EXY(AGN-PC-0WBM63) |
| Chemical Name | 2-Phenyl-1-[4-(trifluoromethyl)phenyl]ethane 2-(Aminoethyl)oxime(Fluvoxamine Impurity) |
| IUPAC Name | 2-[(E)-[2-phenyl-1-[4-(trifluoromethyl)phenyl]ethylidene]amino]oxyethanamine |
| InChI | InChI=1S/C17H17F3N2O/c18-17(19,20)15-8-6-14(7-9-15)16(22-23-11-10-21)12-13-4-2-1-3-5-13/h1-9H,10-12,21H2/b22-16+ |
| InChI Key | VXZVMQOMRJLTTR-CJLVFECKSA-N |
| MDL Number | MFCD31562511 |
| Molecular Formula | C6H5N4 |
| Molecular Weight | 133.1307 |
| SMILES | Nc1c2c(nccc2)nn1 |
| UNII | K9E33F68X3 |
| Synonyms | UNII-K9E33F68X3,
1217241-15-0,
K9E33F68X3,
EP Impurity J,
2-((((1E)-2-Phenyl-1-(4-(trifluoromethyl)phenyl)ethylidene)amino)oxy)ethanamine,
2-Phenyl-1-[4-(trifluoromethyl)phenyl]ethane 2-(Aminoethyl)oxime(Fluvoxamine Impurity),
2-Phenyl-1-[4-(trifluoromethyl)phenyl]ethane 2-(Aminoethyl)oxime(Fluvoxamine Impurity)?,
|
| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 322.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.331g/mol |
| Monoisotopic Mass | 322.129g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number