8-(phenylamino)naphthalene-1-sulfonic acid | SBID = 248 | Compound | Pubchem logo

Molecular Properties

Interactions: 12
PubChem TPSA/Å2: 74.8
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 3.5
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 222.7
Sum Formula: C16H13NO3S
M / g/mol: 299.344
Complexity: 439.0
Number of Conformers: 3.0

Identifiers

  • Tags: aromatic, typical guest
  • Name: 8-(phenylamino)naphthalene-1-sulfonic acid
  • Preferred Abbreviation: 1,8-ANS
  • IUPAC Name: 8-anilinonaphthalene-1-sulfonic acid
  • CAS: 82-76-8
  • CID: 1369
  • InChiKey: FWEOQOXTVHGIFQ-UHFFFAOYSA-N
  • InChi: InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
  • CanoSmiles: C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O
  • IsoSmiles: C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O