| CAS Number | 286010-20-6 |
| Catalog Number | AG00BN8S(AGN-PC-0N0G9L) |
| Chemical Name | 2,4-Bis(trifluoromethyl)benzylamine |
| IUPAC Name | [2,4-bis(trifluoromethyl)phenyl]methanamine |
| InChI | InChI=1S/C9H7F6N/c10-8(11,12)6-2-1-5(4-16)7(3-6)9(13,14)15/h1-3H,4,16H2 |
| InChI Key | UOECFUQLAZNQIL-UHFFFAOYSA-N |
| MDL Number | MFCD06212780 |
| Molecular Formula | C9H7F6N |
| Molecular Weight | 243.149 |
| SMILES | NCC1=C(C(F)(F)F)C=C(C(F)(F)F)C=C1 |
| Synonyms | 2,4-BIS(TRIFLUOROMETHYL)BENZYLAMINE,
286010-20-6,
SCHEMBL964552,
CTK7E5123,
MFCD06212780,
SBB099693,
ZINC38529588,
AKOS015956552,
JS-4498,
PC303104,
[2,4-bis(trifluoromethyl)phenyl]methylamine,
1-[2,4-BIS(TRIFLUOROMETHYL)PHENYL]METHANAMINE,
CID10198709,
[2,4-bis(trifluoromethyl)phenyl]methanamine,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.152g/mol |
| Monoisotopic Mass | 243.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number