| CAS Number | 1193388-76-9 |
| Catalog Number | AG019WCH |
| Chemical Name | [(5-phenyl-1,3,4-oxadiazol-2-yl)methyl](propan-2-yl)amine hydrochloride |
| IUPAC Name | N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine;hydrochloride |
| InChI | InChI=1S/C12H15N3O.ClH/c1-9(2)13-8-11-14-15-12(16-11)10-6-4-3-5-7-10;/h3-7,9,13H,8H2,1-2H3;1H |
| InChI Key | KNOZVJJSFJDQIV-UHFFFAOYSA-N |
| MDL Number | MFCD12912966 |
| Molecular Formula | C12H16ClN3O |
| Molecular Weight | 253.7279 |
| SMILES | Cl.CC(NCC1OC(C2=CC=CC=C2)=NN=1)C |
| Synonyms | [(5-phenyl-1,3,4-oxadiazol-2-yl)methyl](propan-2-yl)amine hydrochloride,
1193388-76-9,
AC1Q394P,
NE55798,
EN300-51453,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.73g/mol |
| Monoisotopic Mass | 253.098g/mol |
| Rotatable Bond Count | 4 |
| 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