4-Bromohistidine
2-amino-3-(4-bromo-1H-imidazol-5-yl)propanoic acid
Also Known As: 4-Bromohistidine|5-Bromohistidine #|ACMC-20atpy|Histidine, 5-bromo-|L-Histidine, 5-bromo-|1-chloroethane-1,2-bis(sulphenyl chloride)|2-amino-3-(5-bromo-1H-imidazol-4-yl)propanoic acid|2-amino-3-(4-bromo-1H-imidazol-5-yl)propanoic acid|(S)-2-Amino-3-(5-bromo-1H-imidazol-4-yl)propanoic acid
CAS: 97486-06-1
| Molecular Formula | C6H8BrN3O2 |
|---|---|
| Molecular Weight | 232.98 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.98 |
| Monoisotopic Mass | 232.98 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 97486-06-1 |
|---|---|
| SMILES | C1=NC(=C(N1)CC(C(=O)O)N)Br |
| InChIKey | WAOOZBPXRNXGKW-UHFFFAOYSA-N |
Product Overview
4-Bromohistidine (CAS 97486-06-1), with molecular formula C6H8BrN3O2 and molecular weight 232.98 g/mol. IUPAC: 2-amino-3-(4-bromo-1H-imidazol-5-yl)propanoic acid.
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.
View MSDS →
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