| CAS Number | 1339691-72-3 |
| Catalog Number | AG01A0F7(AGN-PC-0WODPY) |
| Chemical Name | 4-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline |
| IUPAC Name | 4-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline |
| InChI | InChI=1S/C11H12N2O/c1-7-3-4-9(12)5-10(7)11-13-8(2)6-14-11/h3-6H,12H2,1-2H3 |
| InChI Key | DHCLKADROGNFSY-UHFFFAOYSA-N |
| MDL Number | MFCD20306730 |
| Molecular Formula | C11H12N2O |
| Molecular Weight | 188.2258 |
| SMILES | CC1=C(C=C(N)C=C1)C=1OC=C(N1)C |
| Synonyms | 4-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline,
1339691-72-3,
ZINC70622236,
AKOS013710703,
MCULE-1342892639,
NE33482,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.23g/mol |
| Monoisotopic Mass | 188.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number