Histidine monoacetate
acetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: L-Histidine acetate|Histidine monoacetate|L-Histidine, monoacetate|L-Histidine monoacetate|L-Histidine, acetate (1:1)|HISTIDINE MONOACETATE, (-)-|Acetic acid--L-histidine (1/1)|acetic acid; (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid|acetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid|(S)-2-Amino-3-(1H-imidazol-5-yl)propanoicacidcompoundwithaceticacid(1:1)|(S)-2-Amino-3-(1H-imidazol-5-yl)propanoic acid compound with acetic acid (1:1)
| Molecular Formula | C8H13N3O4 |
|---|---|
| Molecular Weight | 215.0906 g/mol |
| LogP | -0.545 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.0906 |
| Monoisotopic Mass | 215.0906 |
| Heavy Atoms | 15 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 71173-63-2 |
|---|---|
| SMILES | CC(=O)O.C1=C(NC=N1)C[C@@H](C(=O)O)N |
| InChIKey | HABAJMUFCIDFOT-JEDNCBNOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Histidine monoacetate (CAS 71173-63-2), with molecular formula C8H13N3O4 and molecular weight 215.0906 g/mol. IUPAC: acetic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid.
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