Histidine monohydrochloride monohydrateProduct ingredient for Histidine
- Name
- Histidine monohydrochloride monohydrate
- Drug Entry
- Histidine
An essential amino acid that is required for the production of histamine.
- Accession Number
- DBSALT002949
- Structure
Structure for Histidine monohydrochloride monohydrate (DBSALT002949)
- Synonyms
- Histidine HCl hydrate / Histidine hydrochloride hydrate / Histidine hydrochloride monohydrate / L-Histidine HCl hydrate / L-Histidine hydrochloride hydrate
- UNII
- X573657P6P
- CAS Number
- 5934-29-2
- Weight
- Average: 209.63
Monoisotopic: 209.056719 - Chemical Formula
- C6H12ClN3O3
- InChI Key
- CMXXUDSWGMGYLZ-XRIGFGBMSA-N
- InChI
- InChI=1S/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H;1H2/t5-;;/m0../s1
- IUPAC Name
- (2S)-2-amino-3-(1H-imidazol-4-yl)propanoic acid hydrate hydrochloride
- SMILES
- O.Cl.N[C@@H](CC1=CNC=N1)C(O)=O
- External Links
- ChemSpider
- 144975
- Predicted Properties
Property Value Source Water Solubility 71.3 mg/mL ALOGPS logP -2.7 ALOGPS logP -3.3 Chemaxon logS -0.34 ALOGPS pKa (Strongest Acidic) 1.85 Chemaxon pKa (Strongest Basic) 9.25 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 92 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 37.49 m3·mol-1 Chemaxon Polarizability 14.83 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon