| CAS Number | 954585-23-0 |
| Catalog Number | AG01A1WX |
| Chemical Name | {3-[(2,2,2-Trifluoroethoxy)methyl]phenyl}methanamine |
| IUPAC Name | [3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine |
| InChI | InChI=1S/C10H12F3NO/c11-10(12,13)7-15-6-9-3-1-2-8(4-9)5-14/h1-4H,5-7,14H2 |
| InChI Key | UTFSGAOQFVAVTC-UHFFFAOYSA-N |
| MDL Number | MFCD09741007 |
| Molecular Formula | C10H12F3NO |
| Molecular Weight | 219.2036 |
| SMILES | NCC1=CC(COCC(F)(F)F)=CC=C1 |
| Synonyms | {3-[(2,2,2-trifluoroethoxy)methyl]phenyl}methanamine,
954585-23-0,
CTK7E5435,
ZINC19256560,
AKOS000150567,
MCULE-7939014624,
NE34635,
Z1492807090,
1-{3-[(2,2,2-TRIFLUOROETHOXY)METHYL]PHENYL}METHANAMINE,
|
| Complexity | 184 |
| 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 | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number