| CAS Number | 1803611-38-2 |
| Catalog Number | AG01B1P3 |
| Chemical Name | Methyl({2-[4-(trifluoromethyl)phenoxy]ethyl})amine hydrochloride |
| IUPAC Name | N-methyl-2-[4-(trifluoromethyl)phenoxy]ethanamine;hydrochloride |
| InChI | InChI=1S/C10H12F3NO.ClH/c1-14-6-7-15-9-4-2-8(3-5-9)10(11,12)13;/h2-5,14H,6-7H2,1H3;1H |
| InChI Key | SPEPJCCSZJEMRI-UHFFFAOYSA-N |
| MDL Number | MFCD28012255 |
| Molecular Formula | C10H13ClF3NO |
| Molecular Weight | 255.6645 |
| SMILES | Cl.CNCCOC1=CC=C(C(F)(F)F)C=C1 |
| Synonyms | methyl({2-[4-(trifluoromethyl)phenoxy]ethyl})amine hydrochloride,
1803611-38-2,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.665g/mol |
| Monoisotopic Mass | 255.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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