| CAS Number | 1258650-98-4 |
| Catalog Number | AG01ABEE |
| Chemical Name | 1-[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]-piperazine dihydrochloride |
| IUPAC Name | 5-methyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole;dihydrochloride |
| InChI | InChI=1S/C8H14N4O.2ClH/c1-7-10-8(11-13-7)6-12-4-2-9-3-5-12;;/h9H,2-6H2,1H3;2*1H |
| InChI Key | LPADRFUTFFPQKQ-UHFFFAOYSA-N |
| MDL Number | MFCD17977139 |
| Molecular Formula | C8H16Cl2N4O |
| Molecular Weight | 255.1448 |
| SMILES | Cl.Cl.CC1ON=C(CN2CCNCC2)N=1 |
| Synonyms | 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine dihydrochloride,
1258650-98-4,
AC1Q3A8C,
MCULE-4504513691,
NE27882,
EN300-71388,
Z1266823225,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.143g/mol |
| Monoisotopic Mass | 254.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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