Histidine (data page)

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The complete data for Histidine
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Chemical structure of Histidine Chemical structure of Histidine
General information
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Chemical formula: C6H9N3O2 
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
Flammability (red): no hazard code Health (blue): no hazard code Reactivity (yellow): no hazard code Special hazards (white): no codeNFPA 704 four-colored diamond
Flash point
- N/A
R/S statement
R: N/A
S: 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
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)


References[edit]

  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)