chempirical

2-Amino-1,5-naphthalenedisulfonic acid

C10H9NO6S2CAS 117-62-4303.30 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
117-62-4
SMILES
Nc1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O
InChIKey
YAIKCRUPEVOINQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)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

5 names
  • 1,5-Naphthalenedisulfonic acid, 2-amino-
  • 2-Naphthylamine-1,5-disulfonic acid
  • NSC 60279
  • 6-Aminonaphthalene-1,5-disulfonic acid
  • Sulfotobias acid

Work with 2-Amino-1,5-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

2-Amino-1,5-naphthalenedisulfonic acid sodium salt19532-03-773 % similar Laurent acid84-89-971 % similar Naphthionic acid84-86-666 % similar Armstrong'S acid81-04-965 % similar Tobias acid81-16-362 % similar 1,5-Naphthalenedisulfonic acid, hydrate (1:4)211366-30-259 % similar S Acid83-64-756 % similar Orthanilic acid88-21-154 % similar

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

Same formula

6-Amino-1,3-naphthalenedisulfonic acid118-33-2 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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