| CAS Number | 864263-88-7 |
| Catalog Number | AG01FPWW(AGN-PC-3H5P65) |
| Chemical Name | 1-[2-(Trifluoromethoxy)phenyl]ethan-1-amine |
| IUPAC Name | 1-[2-(trifluoromethoxy)phenyl]ethanamine |
| InChI | InChI=1S/C9H10F3NO/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-6H,13H2,1H3 |
| InChI Key | XDQINUYPIQISSS-UHFFFAOYSA-N |
| MDL Number | MFCD17222798 |
| Molecular Formula | C9H10F3NO |
| Molecular Weight | 205.1770 |
| SMILES | FC(OC1=C(C=CC=C1)C(C)N)(F)F |
| Synonyms | 864263-88-7,
1-[2-(trifluoromethoxy)phenyl]ethan-1-amine,
Benzenemethanamine, alpha-methyl-2-(trifluoromethoxy)-,
SCHEMBL10476125,
AKOS012085557,
1396816-27-5,
(R)-1-(2-(Trifluoromethoxy)phenyl)ethan-1-amine,
(1R)-1-[2-(TRIFLUOROMETHOXY)PHENYL]ETHYLAMINE,
(1S)-1-[2-(TRIFLUOROMETHOXY)PHENYL]ETHYLAMINE,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.071448g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.18g/mol |
| Monoisotopic Mass | 205.071448g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number