| CAS Number | 1374408-25-9 |
| Catalog Number | AG01FMDL(AGN-PC-0WCOCR) |
| Chemical Name | 3-(3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride |
| IUPAC Name | 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride |
| InChI | InChI=1S/C12H15N3O2.ClH/c1-16-10-6-4-9(5-7-10)12-14-11(17-15-12)3-2-8-13;/h4-7H,2-3,8,13H2,1H3;1H |
| InChI Key | AUAHSXASSDNKMH-UHFFFAOYSA-N |
| MDL Number | MFCD22201586 |
| Molecular Formula | C12H16ClN3O2 |
| Molecular Weight | 269.7273 |
| SMILES | Cl.NCCCC1=NC(=NO1)C2=CC=C(OC)C=C2 |
| Synonyms | 3-(3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride,
1374408-25-9,
AKOS026677178,
MCULE-5686931294,
F2185-0121,
926212-94-4,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.729g/mol |
| Monoisotopic Mass | 269.093g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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