Histidine (data page)

The complete data for Histidine
	General information 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 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

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)