| CAS Number | 958863-61-1 |
| Catalog Number | AG01B03J |
| Chemical Name | 1-(4-Fluoro-3-(trifluoromethyl)phenyl)-N-methylmethanamine |
| IUPAC Name | 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine |
| InChI | InChI=1S/C9H9F4N/c1-14-5-6-2-3-8(10)7(4-6)9(11,12)13/h2-4,14H,5H2,1H3 |
| InChI Key | AAMOYXXJPGBVDP-UHFFFAOYSA-N |
| MDL Number | MFCD16083868 |
| Molecular Formula | C9H9F4N |
| Molecular Weight | 207.1681 |
| SMILES | FC(C1=CC(CNC)=CC=C1F)(F)F |
| Synonyms | {[4-fluoro-3-(trifluoromethyl)phenyl]methyl}(methyl)amine,
958863-61-1,
SCHEMBL297375,
AAMOYXXJPGBVDP-UHFFFAOYSA-N,
ZINC43566554,
AKOS010979005,
N-(4-fluoro-3-trifluoromethylbenzyl)-N-methylamine,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.172g/mol |
| Monoisotopic Mass | 207.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number