chempirical

2-Naphthylamine-4,8-disulfonic acid

C10H9NO6S2CAS 131-27-1303.30 g/mol

Open in Covalent MOL file
NH2SOOOHSOOHO
Primary amineSulfonic acid

Properties

Molecular formula
C10H9NO6S2
Molar mass
303.30 g/mol
Exact mass
302.9871 Da
logP
0.92Crippen estimate
Polar surface area
134.8 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2

Identifiers

CAS number
131-27-1
SMILES
Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1
InChIKey
MTJGVAJYTOXFJH-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO6S2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)

Weigh it out

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

Names and synonyms

11 names
  • 1,5-Naphthalenedisulfonic acid, 3-amino-
  • 3-Amino-1,5-naphthalenedisulfonic acid
  • Acid IV
  • β-Naphthylamine-4,8-disulfonic acid
  • C Acid
  • 4,8-Disulfo-2-naphthylamine
  • 7-Amino-1,5-naphthalenedisulfonic acid
  • 2-Amino-4,8-naphthalenedisulfonic acid
  • NSC 7558
  • Cassella acid
  • 3-Aminonaphthalene-1,5-disulphonic acid

Work with 2-Naphthylamine-4,8-disulfonic 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

Armstrong'S acid81-04-967 % similar 7-Amino-1,3,5-naphthalenetrisulfonic acid27310-25-466 % similar 1,3,5-Naphthalenetrisulfonic acid6654-64-466 % similar Laurent acid84-89-963 % similar 1,5-Naphthalenedisulfonic acid, hydrate (1:4)211366-30-261 % similar D Acid81-05-061 % similar L Acid117-59-956 % similar Naphthalene-1-sulfonic acid85-47-254 % similar

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

Same formula

2-Amino-1,5-naphthalenedisulfonic acid117-62-4 6-Amino-1,3-naphthalenedisulfonic acid118-33-2 8-Amino-1,6-naphthalenedisulfonic acid129-91-9 7-Amino-1,3-naphthalenedisulfonic acid86-65-7

Elsewhere

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