| CAS Number | 940362-04-9 |
| Catalog Number | AG019LQG |
| Chemical Name | Ethyl({[2-(trifluoromethyl)phenyl]methyl})amine |
| IUPAC Name | N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine |
| InChI | InChI=1S/C10H12F3N/c1-2-14-7-8-5-3-4-6-9(8)10(11,12)13/h3-6,14H,2,7H2,1H3 |
| InChI Key | MYZBEWWDJGNIRQ-UHFFFAOYSA-N |
| MDL Number | MFCD09754342 |
| Molecular Formula | C10H12F3N |
| Molecular Weight | 203.2042 |
| SMILES | CCNCC1=C(C(F)(F)F)C=CC=C1 |
| Synonyms | ethyl({[2-(trifluoromethyl)phenyl]methyl})amine,
940362-04-9,
NCGC00337386-01,
N-ethyl-N-[2-(trifluoromethyl)benzyl]amine,
ST4146905,
ethyl{[2-(trifluoromethyl)phenyl]methyl}amine,
AB01329590-02,
N-[2-(trifluoromethyl)benzyl]ethanamine,
SCHEMBL12153073,
MYZBEWWDJGNIRQ-UHFFFAOYSA-N,
STK512555,
ZINC11920617,
AKOS000192748,
MCULE-7241570075,
NE60565,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.208g/mol |
| Monoisotopic Mass | 203.092g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number