| CAS Number | 1406566-96-8 |
| Catalog Number | AG01DW0P |
| Chemical Name | 3-tert-butyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 3-tert-butyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline |
| InChI | InChI=1S/C14H18F3N/c1-13(2,3)11-7-9-6-10(14(15,16)17)4-5-12(9)18-8-11/h4-6,11,18H,7-8H2,1-3H3 |
| InChI Key | OEJJAFIVOUUAHZ-UHFFFAOYSA-N |
| MDL Number | MFCD18570892 |
| Molecular Formula | C14H18F3N |
| Molecular Weight | 257.2946 |
| SMILES | CC(C1CC2=C(C=CC(C(F)(F)F)=C2)NC1)(C)C |
| Synonyms | 3-(tert-butyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline,
1406566-96-8,
AKOS012692471,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.3g/mol |
| Monoisotopic Mass | 257.139g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number