| CAS Number | 863763-65-9 |
| Catalog Number | AG019OKP |
| Chemical Name | Bis(3-(trifluoromethyl)benzyl)amine |
| IUPAC Name | 1-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine |
| InChI | InChI=1S/C16H13F6N/c17-15(18,19)13-5-1-3-11(7-13)9-23-10-12-4-2-6-14(8-12)16(20,21)22/h1-8,23H,9-10H2 |
| InChI Key | SHPHDCSCFBKTES-UHFFFAOYSA-N |
| MDL Number | MFCD07339248 |
| Molecular Formula | C16H13F6N |
| Molecular Weight | 333.2715 |
| SMILES | FC(C=1C=C(CNCC2=CC(=CC=C2)C(F)(F)F)C=CC1)(F)F |
| Synonyms | bis({[3-(trifluoromethyl)phenyl]methyl})amine,
N,N-bis[3-(trifluoromethyl)benzyl]amine,
863763-65-9,
AC1OFJRS,
AC1Q4J7T,
SCHEMBL4239980,
CTK7B6820,
ZINC4218220,
AKOS001106063,
MCULE-4102732402,
NE13548,
1-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine,
NCGC00337667-01,
EN300-14304,
AB01329118-02,
CID7130668,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.277g/mol |
| Monoisotopic Mass | 333.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number