chempirical

5-Amino-2-naphthalenesulfonic acid

C10H9NO3SCAS 119-79-9223.25 g/mol

Open in Covalent MOL file
NH2SOOOH
Primary amineSulfonic acid

Properties

Molecular formula
C10H9NO3S
Molar mass
223.25 g/mol
Exact mass
223.0303 Da
logP
1.67Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
119-79-9
SMILES
Nc1cccc2cc(S(=O)(=O)O)ccc12
InChIKey
UWPJYQYRSWYIGZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14)

Weigh it out

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

Names and synonyms

11 names
  • 2-Naphthalenesulfonic acid, 5-amino-
  • Cleve's β-acid
  • 1,6-Cleve's acid
  • 1-Naphthylamine-6-sulfonic acid
  • 5-Naphthylamine-2-sulfonic acid
  • 1-Amino-6-sulfonaphthalene
  • 1-Amino-6-naphthalenesulfonic acid
  • 6-Sulfo-1-naphthylamine
  • Cleve's acid
  • NSC 31506
  • NSC 4984

Work with 5-Amino-2-naphthalenesulfonic 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

Naphthalene-2-sulfonic acid120-18-357 % similar 3,4-Diaminobenzenesulfonic acid7474-78-457 % similar 8-Amino-1,6-naphthalenedisulfonic acid129-91-956 % similar 5-Amino-1-hydroxy-3-naphthalenesulfonic acid489-78-156 % similar 3-Amino-4-chlorobenzenesulfonic acid98-36-255 % similar 2,6-Naphthalenedisulfonic acid581-75-955 % similar Aniline-2,4-disulfonic acid137-51-954 % similar 2-Amino-1,4-benzenedisulfonic acid98-44-254 % similar

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

Same formula

8-Amino-2-naphthalenesulfonic acid119-28-8 Probenazole27605-76-1 5-(4-Hydroxybenzyl)thiazolidine-2,4-dione74772-78-4 D Acid81-05-0 Tobias acid81-16-3 Peri acid82-75-7 Naphthionic acid84-86-6 Laurent acid84-89-9

Elsewhere

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