| CAS Number | 1255717-70-4 |
| Catalog Number | AG00J1CC |
| Chemical Name | N-methyl-1-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine trifluoroacetate |
| IUPAC Name | N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C9H10N4O.C2HF3O2/c1-10-6-8-12-9(13-14-8)7-3-2-4-11-5-7;3-2(4,5)1(6)7/h2-5,10H,6H2,1H3;(H,6,7) |
| InChI Key | DZERSTPGPOUVBU-UHFFFAOYSA-N |
| MDL Number | MFCD13193890 |
| Molecular Formula | C11H11F3N4O3 |
| Molecular Weight | 304.2252 |
| SMILES | N1=C(CNC)ON=C1C1=CC=CN=C1.C(F)(F)(F)C(O)=O |
| Synonyms | N-Methyl-1-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine trifluoroacetate,
1255717-70-4,
ZX-CM003838,
MFCD13193890,
4012067-25G,
4012067-50G,
4012067-100G,
N-Methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine trifluoroacetate,
N-Methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine trifluoroacetate, AldrichCPR,
915919-63-0,
|
| Complexity | 262 |
| 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 | 3 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number