| CAS Number | 925007-48-3 |
| Catalog Number | AG01BBEN(AGN-PC-0WA94O) |
| Chemical Name | 3-Methyl-4-(2-methylphenyl)-1,2-oxazol-5-amine |
| IUPAC Name | 3-methyl-4-(2-methylphenyl)-1,2-oxazol-5-amine |
| InChI | InChI=1S/C11H12N2O/c1-7-5-3-4-6-9(7)10-8(2)13-14-11(10)12/h3-6H,12H2,1-2H3 |
| InChI Key | UVCULIIPIYNRSP-UHFFFAOYSA-N |
| MDL Number | MFCD08446440 |
| Molecular Formula | C11H12N2O |
| Molecular Weight | 188.2258 |
| SMILES | CC1C(C2=C(C)C=CC=C2)=C(N)ON=1 |
| Synonyms | 925007-48-3,
3-methyl-4-(2-methylphenyl)-1,2-oxazol-5-amine,
4-(2-TOLYL)-3-METHYL-ISOXAZOL-5-YLAMINE,
3-Methyl-4-o-tolylisoxazol-5-amine,
ZINC19045576,
AKOS009354775,
Z2092370516,
|
| 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 | 2.4 |
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Certificate of Analysis
Lot Number