| CAS Number | 144991-53-7 |
| Catalog Number | AG01AA37(AGN-PC-02LVV0) |
| Chemical Name | 2,6-Dimethyl-4-(trifluoromethyl)aniline |
| IUPAC Name | 2,6-dimethyl-4-(trifluoromethyl)aniline |
| InChI | InChI=1S/C9H10F3N/c1-5-3-7(9(10,11)12)4-6(2)8(5)13/h3-4H,13H2,1-2H3 |
| InChI Key | AKHBCRYOUZZLGV-UHFFFAOYSA-N |
| MDL Number | MFCD27920433 |
| Molecular Formula | C9H10F3N |
| Molecular Weight | 189.1776 |
| SMILES | NC1=C(C)C=C(C(F)(F)F)C=C1C |
| Synonyms | 2,6-Dimethyl-4-(trifluoromethyl)aniline,
144991-53-7,
SCHEMBL532346,
AKHBCRYOUZZLGV-UHFFFAOYSA-N,
MFCD27920433,
ZINC57218551,
[2,6-dimethyl-4-(trifluoromethyl)phenyl]amine,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.181g/mol |
| Monoisotopic Mass | 189.077g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number