| CAS Number | 1609400-25-0 |
| Catalog Number | AG00J1C4 |
| Chemical Name | {[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}methylamine trifluoroacetate |
| IUPAC Name | 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C7H13N3O2.C2HF3O2/c1-8-5-7-9-6(10-12-7)3-4-11-2;3-2(4,5)1(6)7/h8H,3-5H2,1-2H3;(H,6,7) |
| InChI Key | QAZFMEWVDAETEI-UHFFFAOYSA-N |
| MDL Number | MFCD13193844 |
| Molecular Formula | C9H14F3N3O4 |
| Molecular Weight | 285.2204 |
| SMILES | N1C(CCOC)=NOC=1CNC.C(F)(F)(F)C(O)=O |
| Synonyms | {[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}methylamine trifluoroacetate,
1609400-25-0,
ZX-CM003835,
MFCD13193844,
4012064-25G,
1177347-58-8,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.223g/mol |
| Monoisotopic Mass | 285.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 97.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number