| CAS Number | 953724-21-5 |
| Catalog Number | AG01AJB9 |
| Chemical Name | 2-methoxy-1-[3-(trifluoromethyl)phenyl]ethan-1-amine |
| IUPAC Name | 2-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine |
| InChI | InChI=1S/C10H12F3NO/c1-15-6-9(14)7-3-2-4-8(5-7)10(11,12)13/h2-5,9H,6,14H2,1H3 |
| InChI Key | BJJLLHRPTHUESQ-UHFFFAOYSA-N |
| MDL Number | MFCD09730685 |
| Molecular Formula | C10H12F3NO |
| Molecular Weight | 219.2036 |
| SMILES | COCC(C1=CC(C(F)(F)F)=CC=C1)N |
| Synonyms | 2-methoxy-1-[3-(trifluoromethyl)phenyl]ethan-1-amine,
953724-21-5,
AKOS009139659,
MCULE-3934144888,
NE45749,
EN300-80253,
Z1269702241,
|
| 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 | 1.6 |
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Certificate of Analysis
Lot Number