![4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium structure](/static/products/116/1163769-99-0.png)
4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium
1-(4-amino-1,2,4-triazol-4-ium-1-yl)-3,3-dimethylbutan-2-one chloride
Also Known As: 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium|1-(4-amino-1,2,4-triazol-4-ium-1-yl)-3,3-dimethylbutan-2-one chloride|4-amino-1-(3,3-dimethyl-2-oxobutyl)-1H-1,2,4-triazol-4-ium chloride
CAS: 1163769-99-0
| Molecular Formula | C8H15ClN4O |
|---|---|
| Molecular Weight | 218.09344 g/mol |
| LogP | -3.4964 |
| Topological Polar Surface Area | 64.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.09344 |
| Monoisotopic Mass | 218.09344 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 1163769-99-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)CN1C=[N+](C=N1)N.[Cl-] |
| InChIKey | PLZZZNMGVPFXHN-UHFFFAOYSA-M |
Product Overview
4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium (CAS 1163769-99-0), with molecular formula C8H15ClN4O and molecular weight 218.09344 g/mol. IUPAC: 1-(4-amino-1,2,4-triazol-4-ium-1-yl)-3,3-dimethylbutan-2-one chloride.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-1H-[1,2,4]triazol-4-ium is a custom synthesis product. We offer services from milligram to kilogram scale.
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