Histidine dication
[1-carboxy-2-(1H-imidazol-3-ium-5-yl)ethyl]azanium
Also Known As: histidine dication|histidinediium|histidinium(2+)|4-(2-ammonio-2-carboxyethyl)-1H-imidazol-3-ium|5-(2-Azaniumyl-2-carboxyethyl)-1H-imidazol-3-ium|[1-hydroxy-3-(1H-imidazol-3-ium-5-yl)-1-oxopropan-2-yl]azanium
CAS: 7230-69-5
| Molecular Formula | C6H11N3O2+2 |
|---|---|
| Molecular Weight | 157.08513 g/mol |
| LogP | -1.9336 |
| Topological Polar Surface Area | 94.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 157.08513 |
| Monoisotopic Mass | 157.08513 |
| Heavy Atoms | 11 |
| Complexity | 231.98524 |
Chemical Identifiers
| CAS Number | 7230-69-5 |
|---|---|
| SMILES | C1=C(NC=[NH+]1)CC(C(=O)O)[NH3+] |
Product Overview
Histidine dication (CAS 7230-69-5), with molecular formula C6H11N3O2+2 and molecular weight 157.08513 g/mol. IUPAC: [1-carboxy-2-(1H-imidazol-3-ium-5-yl)ethyl]azanium.
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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