| CAS Number | 1432679-40-7 |
| Catalog Number | AG01A4Z9 |
| Chemical Name | 2-(3,4,5-Trifluorophenyl)ethan-1-amine hydrochloride |
| IUPAC Name | 2-(3,4,5-trifluorophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H8F3N.ClH/c9-6-3-5(1-2-12)4-7(10)8(6)11;/h3-4H,1-2,12H2;1H |
| InChI Key | XZZYPPHVCTXOBA-UHFFFAOYSA-N |
| MDL Number | MFCD24369184 |
| Molecular Formula | C8H9ClF3N |
| Molecular Weight | 211.6120 |
| SMILES | Cl.NCCC1=CC(F)=C(F)C(F)=C1 |
| Synonyms | 2-(3,4,5-trifluorophenyl)ethan-1-amine hydrochloride,
1432679-40-7,
NE45698,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.612g/mol |
| Monoisotopic Mass | 211.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number