| CAS Number | 1041529-30-9 |
| Catalog Number | AG019VYW(AGN-PC-0WOCMH) |
| Chemical Name | 2-Methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline |
| IUPAC Name | 2-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline |
| InChI | InChI=1S/C10H11N3O/c1-6-5-8(3-4-9(6)11)10-12-7(2)13-14-10/h3-5H,11H2,1-2H3 |
| InChI Key | AQCBHISMHDHKPH-UHFFFAOYSA-N |
| MDL Number | MFCD11121317 |
| Molecular Formula | C10H11N3O |
| Molecular Weight | 189.2138 |
| SMILES | CC1N=C(C2=CC(C)=C(N)C=C2)ON=1 |
| Synonyms | 2-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline,
1041529-30-9,
AC1Q2Q72,
CTK6C4987,
ZINC21057796,
AKOS008115601,
MCULE-7654349231,
NE60726,
EN300-49920,
|
| 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 | 1.9 |
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Certificate of Analysis
Lot Number