Histamine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2056
Total Number of Articles : 6162
PubChem 774
Molecular Formula

C5H9N3

SMILES

C1=C(NC=N1)CCN

InChI

InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)

synonyms
  • histamine
  • 51-45-6
  • 2-(1H-imidazol-5-yl)ethanamine
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Properties
Property Value
MW 111.15 g/mol
HBD 2
HBA 2
Rotatable Bond Count 2
Exact Mass 111.079647300 g/mol
Monoisotopic Mass 111.079647300 g/mol
Heavy Atom Count 8
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 64.7
xlogp -0.7
Topological Polar Surface Area 54.7