1,3-Dibutylxanthine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 101421
Molecular Formula

C13H20N4O2

SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC=N2

InChI

InChI=1S/C13H20N4O2/c1-3-5-7-16-11-10(14-9-15-11)12(18)17(13(16)19)8-6-4-2/h9H,3-8H2,1-2H3,(H,14,15)

synonyms
  • 1,3-Dibutylxanthine
  • 2850-36-4
  • 1,3-Di-n-Butylxanthine
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Properties
Property Value
MW 264.32 g/mol
HBD 1
HBA 3
Rotatable Bond Count 6
Exact Mass 264.15862589 g/mol
Monoisotopic Mass 264.15862589 g/mol
Heavy Atom Count 19
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 348
xlogp 2.5
Topological Polar Surface Area 69.3