1,4-Butanediammonium | SBID = 671 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 8
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 2.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C4H14N2++
M / g/mol: 90.16736
Complexity:
Number of Conformers:

Identifiers

  • Tags: cation, typical guest, charged
  • Name: 1,4-Butanediammonium
  • Preferred Abbreviation: putrescine (fully protonated form)
  • IUPAC Name: Butane-1,4-diamine
  • CAS: 110-60-1
  • CID: -175
  • InChiKey: KIDHWZJUCRJVML-UHFFFAOYSA-P
  • InChi: InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2/p+2
  • CanoSmiles: [NH3+]CCCC[NH3+]
  • IsoSmiles: [NH3+]CCCC[NH3+]