| CAS Number | 1431968-03-4 |
| Catalog Number | AG00J240(AGN-PC-0WBD0D) |
| Chemical Name | (3-(3-Methoxyphenyl)isoxazol-5-yl)methanamine hydrochloride |
| IUPAC Name | [3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C11H12N2O2.ClH/c1-14-9-4-2-3-8(5-9)11-6-10(7-12)15-13-11;/h2-6H,7,12H2,1H3;1H |
| InChI Key | WYKUWZUEGKLDMO-UHFFFAOYSA-N |
| MDL Number | MFCD25371270 |
| Molecular Formula | C11H13ClN2O2 |
| Molecular Weight | 240.6861 |
| SMILES | N1OC(=CC=1C1C=CC=C(OC)C=1)CN.Cl |
| Synonyms | 1431968-03-4,
(3-(3-Methoxyphenyl)isoxazol-5-yl)methanamine hydrochloride,
1-[3-(3-METHOXYPHENYL)-5-ISOXAZOLYL]METHANAMINE HYDROCHLORIDE,
ZX-CM007903,
MFCD25371270,
AKOS024392476,
MCULE-5501087657,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.687g/mol |
| Monoisotopic Mass | 240.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number