| CAS Number | 54779-55-4 |
| Catalog Number | AG01B6SW(AGN-PC-0WP1IL) |
| Chemical Name | ethyl({1-[4-(trifluoromethyl)phenyl]propan-2-yl})amine hydrochloride |
| IUPAC Name | N-ethyl-1-[4-(trifluoromethyl)phenyl]propan-2-amine;hydrochloride |
| InChI | InChI=1S/C12H16F3N.ClH/c1-3-16-9(2)8-10-4-6-11(7-5-10)12(13,14)15;/h4-7,9,16H,3,8H2,1-2H3;1H |
| InChI Key | NHUVGACNBMCHLG-UHFFFAOYSA-N |
| MDL Number | MFCD30342931 |
| Molecular Formula | C12H17ClF3N |
| Molecular Weight | 267.7183 |
| SMILES | Cl.CCNC(CC1=CC=C(C(F)(F)F)C=C1)C |
| Synonyms | SCHEMBL10562806,
ethyl({1-[4-(trifluoromethyl)phenyl]propan-2-yl})amine hydrochloride,
54779-55-4,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.72g/mol |
| Monoisotopic Mass | 267.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number