| CAS Number | 953750-89-5 |
| Catalog Number | AG019MT7(AGN-PC-01654G) |
| Chemical Name | 1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethan-1-amine |
| IUPAC Name | 1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethanamine |
| InChI | InChI=1S/C11H14F3NO2/c1-7(15)8-3-4-9(10(5-8)16-2)17-6-11(12,13)14/h3-5,7H,6,15H2,1-2H3 |
| InChI Key | GVWGBJKHORUQNN-UHFFFAOYSA-N |
| MDL Number | MFCD09735712 |
| Molecular Formula | C11H14F3NO2 |
| Molecular Weight | 249.2296 |
| SMILES | COC1=C(OCC(F)(F)F)C=CC(C(N)C)=C1 |
| Synonyms | 953750-89-5,
1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethan-1-amine,
1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethanamine,
AC1Q475T,
CTK6J7616,
AKOS000143789,
AKOS022490053,
MCULE-1225711446,
NE54830,
NCGC00330350-01,
EN300-37201,
AB01325164-02,
Z234894859,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.233g/mol |
| Monoisotopic Mass | 249.098g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number