| CAS Number | 39512-64-6 |
| Catalog Number | AG00D47B(AGN-PC-01NN2B) |
| Chemical Name | 1,2,4-Oxadiazol-3-amine |
| IUPAC Name | 1,2,4-oxadiazol-3-amine |
| InChI | InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h1H,(H2,3,5) |
| InChI Key | XWESVPXIDGLPNX-UHFFFAOYSA-N |
| MDL Number | MFCD16990585 |
| Molecular Formula | C2H3N3O |
| Molecular Weight | 85.0647 |
| SMILES | c1nc(no1)N |
| Synonyms | 1,2,4-oxadiazol-3-amine,
39512-64-6,
3-amino-1,2,4-oxadiazole,
XWESVPXIDGLPNX-UHFFFAOYSA-N,
ALBB-027698,
MFCD16990585,
ZINC82411898,
AKOS013003161,
MCULE-1140308393,
CS-0085077,
T4127,
Z1575082298,
|
| Complexity | 48.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 85.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 85.066g/mol |
| Monoisotopic Mass | 85.028g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number