| CAS Number | 912291-11-3 |
| Catalog Number | AG00JTTU(AGN-PC-0WOOMI) |
| Chemical Name | (2-Methylpropyl)({[3-(trifluoromethyl)phenyl]methyl})amine |
| IUPAC Name | 2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine |
| InChI | InChI=1S/C12H16F3N/c1-9(2)7-16-8-10-4-3-5-11(6-10)12(13,14)15/h3-6,9,16H,7-8H2,1-2H3 |
| InChI Key | MAHUWDZYTSQJKA-UHFFFAOYSA-N |
| MDL Number | MFCD11142383 |
| Molecular Formula | C12H16F3N |
| Molecular Weight | 231.2573 |
| SMILES | CC(CNCC1=CC(C(F)(F)F)=CC=C1)C |
| Synonyms | (2-Methylpropyl)({[3-(trifluoromethyl)phenyl]methyl})amine,
912291-11-3,
SCHEMBL4236774,
KS-00001LUD,
2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine,
MFCD11142383,
ZINC19906693,
AKOS000234568,
Z86135898,
CID11951754,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.262g/mol |
| Monoisotopic Mass | 231.123g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number