Butylamine (protonated form) | SBID = 679 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C4H12N+
M / g/mol: 74.14478
Complexity:
Number of Conformers:

Identifiers

  • Tags: cation, typical guest, charged
  • Name: Butylamine (protonated form)
  • Preferred Abbreviation: 1-Butylamine (protonated)
  • IUPAC Name: Butan-1-amine
  • CAS: 109-73-9
  • CID: -183
  • InChiKey: HQABUPZFAYXKJW-UHFFFAOYSA-O
  • InChi: InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3/p+1
  • CanoSmiles: CCCC[NH3+]
  • IsoSmiles: [NH3+]CCCC