5-((4-aminobutyl)amino)naphthalene-1-sulfonate | SBID = 305 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 56
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C14H17N2O3S-
M / g/mol: 293.0
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, dye, anion, typical guest, charged
  • Name: 5-((4-aminobutyl)amino)naphthalene-1-sulfonate
  • Preferred Abbreviation: 5-(aminobutyl)amino)naphthalene-1-sulfonate
  • IUPAC Name: 5-((4-aminobutyl)amino)naphthalene-1-sulfonate
  • CAS:
  • CID: -57
  • InChiKey: VXWYNDRUZWMUSA-UHFFFAOYSA-M
  • InChi: InChI=1S/C14H18N2O3S/c15-9-1-2-10-16-13-7-3-6-12-11(13)5-4-8-14(12)20(17,18)19/h3-8,16H,1-2,9-10,15H2,(H,17,18,19)/p-1
  • CanoSmiles:
  • IsoSmiles: NCCCCNC1=CC=CC2=C(S(=O)([O-])=O)C=CC=C21