| CAS Number | 883542-94-7 |
| Catalog Number | AG019WV1 |
| Chemical Name | 1-[2-(trifluoromethyl)phenoxy]propan-2-amine |
| IUPAC Name | 1-[2-(trifluoromethyl)phenoxy]propan-2-amine |
| InChI | InChI=1S/C10H12F3NO/c1-7(14)6-15-9-5-3-2-4-8(9)10(11,12)13/h2-5,7H,6,14H2,1H3 |
| InChI Key | XRNYDNYFMQCOJD-UHFFFAOYSA-N |
| MDL Number | MFCD06248883 |
| Molecular Formula | C10H12F3NO |
| Molecular Weight | 219.2036 |
| SMILES | CC(COC1=C(C(F)(F)F)C=CC=C1)N |
| Synonyms | 1-(2-aminopropoxy)-2-(trifluoromethyl)benzene,
883542-94-7,
1-[2-(trifluoromethyl)phenoxy]propan-2-amine,
AC1Q2BC7,
SCHEMBL15969416,
CTK6A9016,
AKOS008099137,
MCULE-3367129474,
NE29725,
NCGC00337653-01,
TR-042980,
EN300-53227,
AB01329093-02,
Z803153684,
N-METHYL-2-[2-(TRIFLUOROMETHYL)PHENOXY]-1-ETHANAMINE,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.207g/mol |
| Monoisotopic Mass | 219.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number