| CAS Number | 1262774-88-8 |
| Catalog Number | AG00J1BY |
| Chemical Name | {1-[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl}amine trifluoroacetate |
| IUPAC Name | 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C9H10N4O.C2HF3O2/c1-6(10)9-12-8(13-14-9)7-2-4-11-5-3-7;3-2(4,5)1(6)7/h2-6H,10H2,1H3;(H,6,7) |
| InChI Key | VGHYACSWRBCLIC-UHFFFAOYSA-N |
| MDL Number | MFCD13193932 |
| Molecular Formula | C11H11F3N4O3 |
| Molecular Weight | 304.2252 |
| SMILES | N1C(C2=CC=NC=C2)=NOC=1C(N)C.C(F)(F)(F)C(O)=O |
| Synonyms | {1-[3-(4-Pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl}amine trifluoroacetate,
1262774-88-8,
ZX-CM003849,
MFCD13193932,
1-(3-Pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine trifluoroacetate salt,
1-(3-Pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine trifluoroacetate salt, AldrichCPR,
915924-45-7,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.229g/mol |
| Monoisotopic Mass | 304.078g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number