| CAS Number | 933705-41-0 |
| Catalog Number | AG00J77B(AGN-PC-050HD9) |
| Chemical Name | (2-[3-(Trifluoromethyl)phenoxy]pyridin-3-yl)methylamine |
| IUPAC Name | [2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]methanamine |
| InChI | InChI=1S/C13H11F3N2O/c14-13(15,16)10-4-1-5-11(7-10)19-12-9(8-17)3-2-6-18-12/h1-7H,8,17H2 |
| InChI Key | MEXZELPJNXBSLC-UHFFFAOYSA-N |
| MDL Number | MFCD09971857 |
| Molecular Formula | C13H11F3N2O |
| Molecular Weight | 268.2344 |
| SMILES | NCC1=C(OC2=CC(C(F)(F)F)=CC=C2)N=CC=C1 |
| Synonyms | {2-[3-(TRIFLUOROMETHYL)PHENOXY]PYRIDIN-3-YL}METHYLAMINE,
933705-41-0,
CTK7E6696,
ALBB-005613,
ZX-AN005526,
STK503500,
ZINC19737117,
AKOS000212261,
C-[2-(3-Trifluoromethylphenoxy)pyridin-3-yl]methylamine,
1-{2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}methanamine,
[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]methanamine,
{2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}methylamine dihydrochloride,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.239g/mol |
| Monoisotopic Mass | 268.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number