| CAS Number | 81187-71-5 |
| Catalog Number | AG00ID64(AGN-PC-00JUJX) |
| Chemical Name | 3-(4,5-Dihydro-1,3-oxazol-2-yl)aniline |
| IUPAC Name | 3-(4,5-dihydro-1,3-oxazol-2-yl)aniline |
| InChI | InChI=1S/C9H10N2O/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6H,4-5,10H2 |
| InChI Key | ZMPALKWGZDRORH-UHFFFAOYSA-N |
| MDL Number | MFCD18206197 |
| Molecular Formula | C9H10N2O |
| Molecular Weight | 162.1885 |
| SMILES | NC1=CC=CC(C2=NCCO2)=C1 |
| Synonyms | 3-(4,5-Dihydrooxazol-2-yl)aniline,
81187-71-5,
5-amino-phenyloxazoline,
SCHEMBL7745017,
MFCD18206197,
ZINC39319641,
3-(4,5-DIHYDRO-1,3-OXAZOL-2-YL)ANILINE,
|
| Complexity | 191 |
| 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 | 1 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number