| CAS Number | 1172004-02-2 |
| Catalog Number | AG019LGT |
| Chemical Name | 1-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine dihydrochloride |
| IUPAC Name | 3-phenyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole;dihydrochloride |
| InChI | InChI=1S/C13H16N4O.2ClH/c1-2-4-11(5-3-1)13-15-12(18-16-13)10-17-8-6-14-7-9-17;;/h1-5,14H,6-10H2;2*1H |
| InChI Key | GMWBSCUDOVLYBE-UHFFFAOYSA-N |
| MDL Number | MFCD09971423 |
| Molecular Formula | C13H18Cl2N4O |
| Molecular Weight | 317.2142 |
| SMILES | Cl.Cl.C(C1ON=C(C2=CC=CC=C2)N=1)N1CCNCC1 |
| Synonyms | 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine dihydrochloride,
1172004-02-2,
AC1Q3A2C,
CTK7D1754,
MFCD09971423,
AKOS026850513,
MCULE-7780437078,
NE58307,
EN300-31215,
Z324553178,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.214g/mol |
| Monoisotopic Mass | 316.086g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number