| CAS Number | 1803590-55-7 |
| Catalog Number | AG01BDEW |
| Chemical Name | 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethan-1-amine hydrochloride |
| IUPAC Name | 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine;hydrochloride |
| InChI | InChI=1S/C11H13N3O.ClH/c1-8-13-11(15-14-8)7-10(12)9-5-3-2-4-6-9;/h2-6,10H,7,12H2,1H3;1H |
| InChI Key | OFUSEJNIXAUFOU-UHFFFAOYSA-N |
| MDL Number | MFCD28023613 |
| Molecular Formula | C11H14ClN3O |
| Molecular Weight | 239.7014 |
| SMILES | Cl.CC1N=C(CC(C2=CC=CC=C2)N)ON=1 |
| Synonyms | 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethan-1-amine hydrochloride,
1803590-55-7,
AKOS026005200,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.703g/mol |
| Monoisotopic Mass | 239.083g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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