| CAS Number | 574731-05-8 |
| Catalog Number | AG00ELJW(AGN-PC-0SNSS8) |
| Chemical Name | N-Methyl-1-[4-(trifluoromethyl)phenyl]ethylamine |
| IUPAC Name | N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine |
| InChI | InChI=1S/C10H12F3N/c1-7(14-2)8-3-5-9(6-4-8)10(11,12)13/h3-7,14H,1-2H3 |
| InChI Key | HJCYBPVJJPKIFJ-UHFFFAOYSA-N |
| MDL Number | MFCD09763629 |
| Molecular Formula | C10H12F3N |
| Molecular Weight | 203.2042 |
| SMILES | FC(C1=CC=C(C(C)NC)C=C1)(F)F |
| Synonyms | 574731-05-8,
methyl({1-[4-(trifluoromethyl)phenyl]ethyl})amine,
N-Methyl-1-(4-(trifluoromethyl)phenyl)ethanamine,
N-Methyl-1-[4-(trifluoromethyl)phenyl]ethylamine,
Benzenemethanamine, N,a-dimethyl-4-(trifluoromethyl)-,
SCHEMBL2669013,
CTK5A6924,
AKOS000187176,
AKOS022480464,
NE36406,
NCGC00374104-01,
(+/-)-Alpha,N-dimethyl-4-(trifluoromethyl)benzylamine,
alpha,N-Dimethyl-4-(trifluoromethyl)benzylamine,
(R)-N-Methyl-1-(4-(trifluoromethyl)phenyl)ethanamine,
672906-72-8,
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| Complexity | 171 |
| 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 | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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