| CAS Number | 1431962-29-6 |
| Catalog Number | AG00J20P |
| Chemical Name | {[3-(2-methoxyphenyl)-5-isoxazolyl]methyl}amine hydrochloride |
| IUPAC Name | [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C11H12N2O2.ClH/c1-14-11-5-3-2-4-9(11)10-6-8(7-12)15-13-10;/h2-6H,7,12H2,1H3;1H |
| InChI Key | KPAMETLDHAGHGL-UHFFFAOYSA-N |
| MDL Number | MFCD16036164 |
| Molecular Formula | C11H13ClN2O2 |
| Molecular Weight | 240.6861 |
| SMILES | C1(C2C=CC=CC=2OC)C=C(ON=1)CN.Cl |
| Synonyms | 1431962-29-6,
{[3-(2-methoxyphenyl)-5-isoxazolyl]methyl}amine hydrochloride,
ZX-CM007464,
MFCD16036164,
AKOS024392446,
MCULE-8710277719,
Z2106603137,
[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methanamine hydrochloride,
1-[3-(2-METHOXYPHENYL)-5-ISOXAZOLYL]METHANAMINE HYDROCHLORIDE,
|
| 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 |
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Certificate of Analysis
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