| CAS Number | 1354962-52-9 |
| Catalog Number | AG019PRZ(AGN-PC-0WO9OF) |
| Chemical Name | 4-[4-(Trifluoromethyl)phenyl]pyridin-3-amine |
| IUPAC Name | 4-[4-(trifluoromethyl)phenyl]pyridin-3-amine |
| InChI | InChI=1S/C12H9F3N2/c13-12(14,15)9-3-1-8(2-4-9)10-5-6-17-7-11(10)16/h1-7H,16H2 |
| InChI Key | QJKHVLKCYZHFIN-UHFFFAOYSA-N |
| MDL Number | MFCD20441550 |
| Molecular Formula | C12H9F3N2 |
| Molecular Weight | 238.2085 |
| SMILES | NC1=C(C2=CC=C(C(F)(F)F)C=C2)C=CN=C1 |
| Synonyms | 4-[4-(trifluoromethyl)phenyl]pyridin-3-amine,
1354962-52-9,
ZINC71372554,
AKOS017522518,
MCULE-1398768634,
NE24034,
EN300-86290,
Z1259273399,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.213g/mol |
| Monoisotopic Mass | 238.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number