| CAS Number | 1909347-96-1 |
| Catalog Number | AG01C4PB |
| Chemical Name | N-(2-Methylpropyl)-3-(trifluoromethyl)aniline hydrochloride |
| IUPAC Name | N-(2-methylpropyl)-3-(trifluoromethyl)aniline;hydrochloride |
| InChI | InChI=1S/C11H14F3N.ClH/c1-8(2)7-15-10-5-3-4-9(6-10)11(12,13)14;/h3-6,8,15H,7H2,1-2H3;1H |
| InChI Key | NHIGUSYVEHJYHW-UHFFFAOYSA-N |
| MDL Number | MFCD29906961 |
| Molecular Formula | C11H15ClF3N |
| Molecular Weight | 253.6917 |
| SMILES | Cl.CC(CNC1=CC(C(F)(F)F)=CC=C1)C |
| Synonyms | N-(2-methylpropyl)-3-(trifluoromethyl)aniline hydrochloride,
1909347-96-1,
Z2429425698,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.693g/mol |
| Monoisotopic Mass | 253.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number