| CAS Number | 1909314-04-0 |
| Catalog Number | AG01B1V6 |
| Chemical Name | 1-(dimethyl-4H-1,2,4-triazol-3-yl)piperazine dihydroiodide |
| IUPAC Name | 1-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazine;dihydroiodide |
| InChI | InChI=1S/C8H15N5.2HI/c1-7-10-11-8(12(7)2)13-5-3-9-4-6-13;;/h9H,3-6H2,1-2H3;2*1H |
| InChI Key | YDWVGFYDBNIWTR-UHFFFAOYSA-N |
| MDL Number | MFCD29907198 |
| Molecular Formula | C8H17I2N5 |
| Molecular Weight | 437.0630 |
| SMILES | I.I.CC1N(C)C(N2CCNCC2)=NN=1 |
| Synonyms | 1-(dimethyl-4H-1,2,4-triazol-3-yl)piperazine dihydroiodide,
1909314-04-0,
Z2469606510,
1-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)piperazine dihydroiodide,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 436.957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 437.068g/mol |
| Monoisotopic Mass | 436.957g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number