| CAS Number | 1373925-07-5 |
| Catalog Number | AG019Z2P |
| Chemical Name | 1-[3-(Trifluoromethoxy)phenyl]ethan-1-amine hydrochloride |
| IUPAC Name | 1-[3-(trifluoromethoxy)phenyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C9H10F3NO.ClH/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12;/h2-6H,13H2,1H3;1H |
| InChI Key | GILTYZBJXXHWGV-UHFFFAOYSA-N |
| MDL Number | MFCD22196615 |
| Molecular Formula | C9H11ClF3NO |
| Molecular Weight | 241.6379 |
| SMILES | CC(C1=CC=CC(OC(F)(F)F)=C1)N.[H]Cl |
| Synonyms | 1-[3-(trifluoromethoxy)phenyl]ethan-1-amine hydrochloride,
1373925-07-5,
SCHEMBL2719228,
NE38777,
Z1881598077,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.638g/mol |
| Monoisotopic Mass | 241.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number