| CAS Number | 1340036-03-4 |
| Catalog Number | AG01A4WG |
| Chemical Name | N-Methyl-1-(3,4,5-trifluorophenyl)methanamine |
| IUPAC Name | N-methyl-1-(3,4,5-trifluorophenyl)methanamine |
| InChI | InChI=1S/C8H8F3N/c1-12-4-5-2-6(9)8(11)7(10)3-5/h2-3,12H,4H2,1H3 |
| InChI Key | FTKFLJLKMQIDRI-UHFFFAOYSA-N |
| MDL Number | MFCD17284527 |
| Molecular Formula | C8H8F3N |
| Molecular Weight | 175.1510 |
| SMILES | CNCC1=CC(F)=C(F)C(F)=C1 |
| Synonyms | methyl[(3,4,5-trifluorophenyl)methyl]amine,
1340036-03-4,
SCHEMBL14451961,
BBL036585,
ZINC62705430,
AKOS012350875,
NE18477,
N-methyl-1-(3,4,5-trifluorophenyl)methanamine,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.154g/mol |
| Monoisotopic Mass | 175.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number