| CAS Number | 1249836-00-7 |
| Catalog Number | AG00HHV8(AGN-PC-0WO7GK) |
| Chemical Name | 5,7-Dimethyl-1,3-benzoxazol-2-amine |
| IUPAC Name | 5,7-dimethyl-1,3-benzoxazol-2-amine |
| InChI | InChI=1S/C9H10N2O/c1-5-3-6(2)8-7(4-5)11-9(10)12-8/h3-4H,1-2H3,(H2,10,11) |
| InChI Key | QOTCULOVLLBLDH-UHFFFAOYSA-N |
| MDL Number | MFCD16742785 |
| Molecular Formula | C9H10N2O |
| Molecular Weight | 162.1885 |
| SMILES | CC1=CC2=C(OC(=N2)N)C(C)=C1 |
| Synonyms | 5,7-dimethyl-1,3-benzoxazol-2-amine,
1249836-00-7,
SCHEMBL3529852,
CHEMBL4104686,
QOTCULOVLLBLDH-UHFFFAOYSA-N,
ZINC52066081,
AKOS011654945,
MCULE-5791406165,
NE52472,
I14-9957,
Z1333043381,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.192g/mol |
| Monoisotopic Mass | 162.079g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number