| CAS Number | 405-40-3 |
| Catalog Number | AG019YP6 |
| Chemical Name | N-(3,3,3-Trifluoropropyl)aniline |
| IUPAC Name | N-(3,3,3-trifluoropropyl)aniline |
| InChI | InChI=1S/C9H10F3N/c10-9(11,12)6-7-13-8-4-2-1-3-5-8/h1-5,13H,6-7H2 |
| InChI Key | NKLPAFRXRSJJAD-UHFFFAOYSA-N |
| MDL Number | MFCD12771211 |
| Molecular Formula | C9H10F3N |
| Molecular Weight | 189.1776 |
| SMILES | FC(F)(F)CCNC1=CC=CC=C1 |
| Synonyms | N-(3,3,3-trifluoropropyl)aniline,
405-40-3,
SCHEMBL3953252,
ZINC37855088,
AKOS009049932,
MCULE-5333913694,
NE54475,
RP24899,
|
| Complexity | 138 |
| 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 | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number