| CAS Number | 1439900-40-9 |
| Catalog Number | AG01DRPZ |
| Chemical Name | 2,2-Dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine hydrochloride |
| IUPAC Name | 2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride |
| InChI | InChI=1S/C12H16F3N.ClH/c1-11(2,8-16)7-9-3-5-10(6-4-9)12(13,14)15;/h3-6H,7-8,16H2,1-2H3;1H |
| InChI Key | VTENURUNPKOPQG-UHFFFAOYSA-N |
| MDL Number | MFCD26096907 |
| Molecular Formula | C12H17ClF3N |
| Molecular Weight | 267.7183 |
| SMILES | Cl.CC(CC1=CC=C(C(F)(F)F)C=C1)(CN)C |
| Synonyms | 1439900-40-9,
2,2-Dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine hydrochloride,
2,2-Dimethyl-3-(4-(trifluoromethyl)phenyl)propan-1-amine hydrochloride,
AKOS027393405,
KS-7914,
|
| Complexity | 215 |
| 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 | 3 |
| 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