| CAS Number | 2044713-65-5 |
| Catalog Number | AG01BVAP |
| Chemical Name | 5-(2-Azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole hydrochloride |
| IUPAC Name | 5-(2-azabicyclo[2.1.1]hexan-1-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride |
| InChI | InChI=1S/C8H11N3O.ClH/c1-5-10-7(12-11-5)8-2-6(3-8)4-9-8;/h6,9H,2-4H2,1H3;1H |
| InChI Key | CABDESWHGMZSHG-UHFFFAOYSA-N |
| MDL Number | MFCD30476330 |
| Molecular Formula | C8H12ClN3O |
| Molecular Weight | 201.6534 |
| SMILES | CC1=NOC(C2(C3)NCC3C2)=N1.[H]Cl |
| Synonyms | 1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.1.1]hexane hydrochloride,
2044713-65-5,
AKOS033976840,
Z2680629398,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.654g/mol |
| Monoisotopic Mass | 201.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number