| CAS Number | 1233324-80-5 |
| Catalog Number | AG01A269 |
| Chemical Name | 3-(Aminomethyl)-5-(trifluoromethyl)aniline |
| IUPAC Name | 3-(aminomethyl)-5-(trifluoromethyl)aniline |
| InChI | InChI=1S/C8H9F3N2/c9-8(10,11)6-1-5(4-12)2-7(13)3-6/h1-3H,4,12-13H2 |
| InChI Key | LZQNQVAKBKTESA-UHFFFAOYSA-N |
| MDL Number | MFCD20727483 |
| Molecular Formula | C8H9F3N2 |
| Molecular Weight | 190.1657 |
| SMILES | NC1=CC(C(F)(F)F)=CC(CN)=C1 |
| Synonyms | 3-(aminomethyl)-5-(trifluoromethyl)aniline,
1233324-80-5,
5-(aminomethyl)-3-(trifluoromethyl)aniline,
SCHEMBL10200704,
ZINC82164605,
AKOS022809837,
AB76570,
MCULE-8454428520,
NE29044,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.169g/mol |
| Monoisotopic Mass | 190.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number