| CAS Number | 86685-96-3 |
| Catalog Number | AG00GT4G(AGN-PC-0KZUQD) |
| Chemical Name | 3-(O-tolyl)isoxazol-5-amine |
| IUPAC Name | 3-(2-methylphenyl)-1,2-oxazol-5-amine |
| InChI | InChI=1S/C10H10N2O/c1-7-4-2-3-5-8(7)9-6-10(11)13-12-9/h2-6H,11H2,1H3 |
| InChI Key | YEMOGLHFQCOBPV-UHFFFAOYSA-N |
| MDL Number | MFCD07383027 |
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.1992 |
| SMILES | CC1=CC=CC=C1C2=NOC(=C2)N |
| Synonyms | 86685-96-3,
3-o-tolylisoxazol-5-amine,
3-(2-methylphenyl)-1,2-oxazol-5-amine,
3-o-tolyl-isoxazol-5-ylamine,
3-(o-Tolyl)isoxazol-5-amine,
AC1MXWWZ,
AC1Q2EQD,
SCHEMBL16826070,
DTXSID00396218,
ZINC3715880,
AKOS000261593,
MCULE-8874489711,
NE59937,
DB-032288,
FT-0723505,
EN300-45093,
CID3772690,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.203g/mol |
| Monoisotopic Mass | 174.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number