Agmatine | SBID = 726 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 6
PubChem TPSA/Å2: 90.4
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): -1.5
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 3.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 102.6
Sum Formula: C5H14N4
M / g/mol: 130.19
Complexity: 85.0
Number of Conformers: 10.0

Identifiers

  • Tags: typical guest
  • Name: Agmatine
  • Preferred Abbreviation: Agmatine
  • IUPAC Name: 2-(4-aminobutyl)guanidine
  • CAS: 306-60-5
  • CID: 199
  • InChiKey: QYPPJABKJHAVHS-UHFFFAOYSA-N
  • InChi: InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
  • CanoSmiles: C(CCN=C(N)N)CN
  • IsoSmiles: C(CCN=C(N)N)CN