Histidine (data page)

The complete data for Histidine (v)
	General informationChemical 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/ACAS: 351-50-8 (D), 71-00-1 (L)DrugBank: N/AEINECS: 206-513-8 (D) a, 200-745-3 (L) aPubChem: 71083 (D) a, 6274 (L) a
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
StructureCrystal dataSpectral dataUV–VisIRNMRMS - Masses of main fragments:Phase behaviorSolid properties Tm: 287 °CLiquid propertiesGas properties
Structure	Crystal data	Spectral dataUV–VisIRNMRMS - Masses of main fragments:


UV–Vis	IR	NMR	MS - Masses of main fragments:
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
MSDS N/A	Main hazards:- N/A	NFPA 704	Flash point- N/A	RTECS number: N/A
Chemical properties
XLogP: -3.461pI: 7.59pKa: 1.70; 6.04; 9.09Tautomers: 2Hydrogen bond: donor - 3; acceptor - 5
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 relate to Standard temperature and pressure.
Reliability of data general note.

^a EINECS number (D-histidine)
^a EINECS number (L-histidine)
^a from PubChem (D-histidine)
^a from PubChem (L-histidine)