chempirical

8-Amino-1,6-naphthalenedisulfonic acid

C10H9NO6S2CAS 129-91-9303.30 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
129-91-9
SMILES
Nc1cc(S(=O)(=O)O)cc2cccc(S(=O)(=O)O)c12
InChIKey
YDEOXZHCPCPPJG-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO6S2/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)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

8 names
  • 1,6-Naphthalenedisulfonic acid, 8-amino-
  • Aminoepsilon acid
  • 1-Naphthylamine-3,8-disulfonic acid
  • 1-Amino-3,8-disulfonaphthalene
  • Epsilon acid
  • 3,8-Disulfo-1-naphthylamine
  • 1-Amino-3,8-naphthalenedisulfonic acid
  • NSC 5524

Work with 8-Amino-1,6-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

Peri acid82-75-769 % similar 8-Hydroxy-1,6-naphthalenedisulfonic acid117-43-167 % similar H Acid90-20-057 % similar 5-Amino-2-naphthalenesulfonic acid119-79-956 % similar 2-Amino-1,4-benzenedisulfonic acid98-44-255 % similar Ants5398-34-553 % similar 2-Aminophenol-4,6-disulfonic acid120-98-953 % similar 7-Amino-1,3,6-naphthalenetrisulfonic acid118-03-652 % 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 2-Naphthylamine-4,8-disulfonic acid131-27-1 7-Amino-1,3-naphthalenedisulfonic acid86-65-7

Elsewhere

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