| CAS Number | 1787896-04-1 |
| Catalog Number | AG01BDAZ |
| Chemical Name | Methyl((2-[4-(trifluoromethyl)phenoxy]propyl))amine hydrochloride |
| IUPAC Name | N-methyl-2-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride |
| InChI | InChI=1S/C11H14F3NO.ClH/c1-8(7-15-2)16-10-5-3-9(4-6-10)11(12,13)14;/h3-6,8,15H,7H2,1-2H3;1H |
| InChI Key | CZMIHJJUICAMGW-UHFFFAOYSA-N |
| MDL Number | MFCD28012450 |
| Molecular Formula | C11H15ClF3NO |
| Molecular Weight | 269.6911 |
| SMILES | Cl.CNCC(OC1=CC=C(C(F)(F)F)C=C1)C |
| Synonyms | methyl({2-[4-(trifluoromethyl)phenoxy]propyl})amine hydrochloride,
1787896-04-1,
MCULE-1039225777,
Z1834265852,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.692g/mol |
| Monoisotopic Mass | 269.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number