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Histidine (data page)

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Chemical data page
The complete data for Histidine ()
Chemical structure of Histidine Chemical structure of HistidineGeneral informationChemical formula: C6H9N3O2
Molar mass: 155.16 g·mol
Systematic name:
2-amino-3-(3H-imidazol-4-yl)propanoic acid
Abbreviations: H, His
Synonyms:
Imidazole alanine
({S/D})-α-amino-1H-imidazole-4-propanoic acid
4-(2-amino-2-carboxyethyl)imidazole
α-amino-1H-imidazole-4-propionic acid
α-amino-4-imidazolepropionic acid
Anti-rheuma
C00768
Glyoxaline-5-alanine
Database data
SMILES: C1=C(NC=N1)CC(C(=O)O)N
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m{0/1}/s1/f/h9-10H
ATC: N/ACAS: 351-50-8 (D), 71-00-1 (L)DrugBank: N/AEINECS: 206-513-8 (D) , 200-745-3 (L) PubChem: 71083 (D) , 6274 (L)
Physical properties
Structure
Crystal data
Spectral data
UV-Vis
IR
NMR
MS
- Masses of main fragments:
GMD MS Spectrum
Phase behavior
Solid properties
Tm: 287 °C 		Liquid properties
Gas properties
Hazard properties
MSDS N/AMain hazards:- N/ANFPA 704Flash point- N/ARTECS number:
N/A
Chemical properties
XLogP: -3.461pI: 7.59pKa: 1.70; 6.04; 9.09Tautomers: 2Hydrogen bond: donor - 3;  acceptor - 5
Pharmacological properties


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References

  1. ^a EINECS number 200-745-3 (D-histidine)
  2. ^a EINECS number 206-513-8 (L-histidine)
  3. ^a CID 71083 from PubChem (D-histidine)
  4. ^a CID 6274 from PubChem (L-histidine)
Encoded (proteinogenic) amino acids
General topics
Unspecified L-amino acid
By properties
Aliphatic
Aromatic
Polar, uncharged
Positive charge (pKa)
Negative charge (pKa)
Category: