chempirical

7-Amino-1,3,6-naphthalenetrisulfonic acid

C10H9NO9S3CAS 118-03-6383.36 g/mol

Open in Covalent MOL file
H2NSOOHOSOOOHSOOOH
Primary amineSulfonic acid

Properties

Molecular formula
C10H9NO9S3
Molar mass
383.36 g/mol
Exact mass
382.9439 Da
logP
0.16Crippen estimate
Polar surface area
189.1 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
3

Identifiers

CAS number
118-03-6
SMILES
Nc1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O
InChIKey
GFPQSWFFPRQEHH-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO9S3/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)

Weigh it out

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

Names and synonyms

6 names
  • 1,3,6-Naphthalenetrisulfonic acid, 7-amino-
  • 2-Naphthylamine-3,6,8-trisulfonic acid
  • 2-Amino-3,6,8-naphthalenetrisulfonic acid
  • NSC 7561
  • 2-Aminonaphthalene-3,6,8-trisulfonic acid
  • 2-Aminonaphthalene-3,6,8-trisulphonic acid

Work with 7-Amino-1,3,6-naphthalenetrisulfonic 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

6-Amino-1,3-naphthalenedisulfonic acid118-33-262 % similar 7-Amino-1,3-naphthalenedisulfonic acid86-65-762 % similar Aniline-2,4-disulfonic acid137-51-958 % similar 4,6-Diamino-1,3-benzenedisulfonic acid137-50-858 % similar 5,6-Diamino-1,3-naphthalenedisulfonic acid73692-57-656 % similar 2-Aminophenol-4,6-disulfonic acid120-98-955 % similar 2-Amino-1,4-benzenedisulfonic acid98-44-254 % similar 8-Amino-1,6-naphthalenedisulfonic acid129-91-952 % similar

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

Same formula

7-Amino-1,3,5-naphthalenetrisulfonic acid27310-25-4

Elsewhere

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