Histidine (data page)

Last updated
The complete data for Histidine ()
L-histidine-skeletal.png L-histidine-3D-sticks.png General information
Chemical formula : C 6 H 9 N 3 O 2 
Molar mass : 155.16 g·mol−1
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/A  CAS : 351-50-8 (D), 71-00-1 (L)  DrugBank : N/A  EINECS : 206-513-8 (D) a , 200-745-3 (L) a   PubChem : 71083 (D) a , 6274 (L) a
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/A
Main hazards :
- N/A
NFPA 704 Flash point
- N/A
RTECS number:
N/A
Chemical properties
XLogP : -3.461 pI : 7.59 pKa : 1.70; 6.04; 9.09 Tautomers : 2 Hydrogen 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)