| CAS Number | 1016528-42-9 |
| Catalog Number | AG017CTT(AGN-PC-0WBQ79) |
| Chemical Name | 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C10H11N3O/c1-6-3-4-8(5-7(6)2)9-12-13-10(11)14-9/h3-5H,1-2H3,(H2,11,13) |
| InChI Key | NAONXQCGDDBKBD-UHFFFAOYSA-N |
| MDL Number | MFCD09807228 |
| Molecular Formula | C10H11N3O |
| Molecular Weight | 189.2138 |
| SMILES | CC1=C(C)C=C(C2OC(N)=NN=2)C=C1 |
| Synonyms | 5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine,
1016528-42-9,
CTK7E1436,
DTXSID10602716,
AOD100575,
STL479988,
ZINC19388331,
AKOS000159807,
MCULE-3320421188,
L-2435,
F2146-0100,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.218g/mol |
| Monoisotopic Mass | 189.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number