chempirical

8-Anilinonaphthalene-1-sulfonic acid

C16H13NO3SCAS 82-76-8299.34 g/mol

Open in Covalent MOL file
OSOHONH
Secondary amineSulfonic acid

Properties

Molecular formula
C16H13NO3S
Molar mass
299.34 g/mol
Exact mass
299.0616 Da
logP
3.83Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
82-76-8
SMILES
O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12
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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 1-Naphthalenesulfonic acid, 8-(phenylamino)-
  • 1-Naphthalenesulfonic acid, 8-anilino-
  • 8-(Phenylamino)-1-naphthalenesulfonic acid
  • 8-Anilino-1-naphthalenesulfonic acid
  • ANS
  • 1-Anilino-8-naphthalenesulfonic acid
  • 1-(Phenylamino)-8-naphthalenesulfonic acid
  • Phenyl peri acid
  • Peri acid, phenyl-
  • ANS (fluorescent probe)
  • NSC 1746
  • 8-Anilino-1-naphthalenesulfonate

Work with 8-Anilinonaphthalene-1-sulfonic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ammonium 8-anilinonaphthalene-1-sulfonate28836-03-592 % similar 8-Anilino-1-naphthalenesulfonate magnesium salt18108-68-460 % similar 1-Naphthol-8-sulfonic acid117-22-654 % similar Peri acid82-75-753 % similar 5-Amino-2-(phenylamino)benzenesulfonic acid91-30-552 % similar Naphthalene-1-sulfonic acid85-47-250 % similar N-Phenylnaphthalen-1-amine90-30-245 % similar 8-Hydroxy-1,6-naphthalenedisulfonic acid117-43-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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