| CAS Number | 913731-10-9 |
| Catalog Number | AG00IGMP |
| Chemical Name | 3-(4,5-Dihydro-4,4-dimethyloxazol-2-YL)benzenamine |
| IUPAC Name | 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline |
| InChI | InChI=1S/C11H14N2O/c1-11(2)7-14-10(13-11)8-4-3-5-9(12)6-8/h3-6H,7,12H2,1-2H3 |
| InChI Key | JCGLDNHHZQFINP-UHFFFAOYSA-N |
| MDL Number | MFCD09909379 |
| Molecular Formula | C11H14N2O |
| Molecular Weight | 190.2417 |
| SMILES | Nc1cccc(c1)C1=NC(CO1)(C)C |
| Synonyms | 913731-10-9,
3-(4,5-DIHYDRO-4,4-DIMETHYLOXAZOL-2-YL)BENZENAMINE,
3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline,
3-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)aniline,
3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)aniline,
DTXSID00702138,
AB3653,
MFCD09909379,
ZINC71490214,
AKOS006314608,
3- benzenamine,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.246g/mol |
| Monoisotopic Mass | 190.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number