| CAS Number | 1016811-90-7 |
| Catalog Number | AG01AARH |
| Chemical Name | N,N-dimethyl-4-{[(2,2,2-trifluoroethyl)amino]methyl}aniline |
| IUPAC Name | N,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]aniline |
| InChI | InChI=1S/C11H15F3N2/c1-16(2)10-5-3-9(4-6-10)7-15-8-11(12,13)14/h3-6,15H,7-8H2,1-2H3 |
| InChI Key | LSEWHMCQBXZTEA-UHFFFAOYSA-N |
| MDL Number | MFCD09938951 |
| Molecular Formula | C11H15F3N2 |
| Molecular Weight | 232.2454 |
| SMILES | CN(C1=CC=C(CNCC(F)(F)F)C=C1)C |
| Synonyms | N,N-dimethyl-4-{[(2,2,2-trifluoroethyl)amino]methyl}aniline,
1016811-90-7,
AC1Q3WDZ,
ZINC19479289,
AKOS000179551,
MCULE-3095575319,
NE17370,
EN300-69377,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.25g/mol |
| Monoisotopic Mass | 232.119g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number