| CAS Number | 81574-21-2 |
| Catalog Number | AG01DWOK |
| Chemical Name | METHYL-(3-METHYL-[1,2,4]OXADIAZOL-5-YL)-AMINE |
| IUPAC Name | N,3-dimethyl-1,2,4-oxadiazol-5-amine |
| InChI | InChI=1S/C4H7N3O/c1-3-6-4(5-2)8-7-3/h1-2H3,(H,5,6,7) |
| InChI Key | DMEYUXLHKAIWKJ-UHFFFAOYSA-N |
| MDL Number | MFCD16817916 |
| Molecular Formula | C4H7N3O |
| Molecular Weight | 113.1179 |
| SMILES | CC1=NOC(NC)=N1 |
| Synonyms | METHYL-(3-METHYL-[1,2,4]OXADIAZOL-5-YL)-AMINE,
81574-21-2,
SCHEMBL2629329,
AKOS011886139,
N,3-dimethyl-1,2,4-oxadiazol-5-amine,
|
| Complexity | 77.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.12g/mol |
| Monoisotopic Mass | 113.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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