| CAS Number | 1258641-02-9 |
| Catalog Number | AG019XJY(AGN-PC-0WORQ5) |
| Chemical Name | 5-Ethyl-3-(piperidin-2-yl)-1,2,4-oxadiazole hydrochloride |
| IUPAC Name | 5-ethyl-3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride |
| InChI | InChI=1S/C9H15N3O.ClH/c1-2-8-11-9(12-13-8)7-5-3-4-6-10-7;/h7,10H,2-6H2,1H3;1H |
| InChI Key | GCACJJSEQNYRIR-UHFFFAOYSA-N |
| MDL Number | MFCD17976971 |
| Molecular Formula | C9H16ClN3O |
| Molecular Weight | 217.6958 |
| SMILES | Cl.CCC1ON=C(C2NCCCC2)N=1 |
| Synonyms | 2-(5-Ethyl-1,2,4-oxadiazol-3-yl)piperidine hydrochloride,
1258641-02-9,
5-ethyl-3-(piperidin-2-yl)-1,2,4-oxadiazole hydrochloride,
AC1Q39O1,
AKOS025440064,
KS-7487,
MCULE-1184450667,
NE38571,
EN300-55213,
Z1259341049,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.697g/mol |
| Monoisotopic Mass | 217.098g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number