chempirical

6-Amino-1,3-naphthalenedisulfonic acid

C10H9NO6S2CAS 118-33-2303.30 g/mol

Open in Covalent MOL file
H2NSOOOHSOOHO
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
118-33-2
SMILES
Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1
InChIKey
KZCSUEYBKAPKNH-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO6S2/c11-7-1-2-9-6(3-7)4-8(18(12,13)14)5-10(9)19(15,16)17/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

7 names
  • 1,3-Naphthalenedisulfonic acid, 6-amino-
  • Amino-I acid
  • β-Naphthylamine-5,7-disulfonic acid
  • 2-Naphthylamine-5,7-disulfonic acid
  • Amino-J acid
  • 2-Amino-5,7-naphthalenedisulfonic acid
  • NSC 4157

Work with 6-Amino-1,3-naphthalenedisulfonic 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

7-Amino-4-hydroxy-2-naphthalenesulfonic acid87-02-571 % similar D Acid81-05-066 % similar 6-Amino-2-naphthalenesulfonic acid93-00-564 % similar 7-Amino-1,3,5-naphthalenetrisulfonic acid27310-25-462 % similar 7-Amino-1,3,6-naphthalenetrisulfonic acid118-03-662 % similar Gamma acid90-51-759 % similar Monopotassium 7-aminonaphthalene-1,3-disulfonate842-15-957 % similar 5,6-Diamino-1,3-naphthalenedisulfonic acid73692-57-655 % similar

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

Same formula

2-Amino-1,5-naphthalenedisulfonic acid117-62-4 8-Amino-1,6-naphthalenedisulfonic acid129-91-9 2-Naphthylamine-4,8-disulfonic acid131-27-1 7-Amino-1,3-naphthalenedisulfonic acid86-65-7

Elsewhere

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