chempirical

7-Amino-1,3,5-naphthalenetrisulfonic acid

C10H9NO9S3CAS 27310-25-4383.36 g/mol

Open in Covalent MOL file
H2NSOOOHSOOOHSOOHO
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
27310-25-4
SMILES
Nc1cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1
InChIKey
HKTWHHAJDJCUPC-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO9S3/c11-5-1-7-8(9(2-5)22(15,16)17)3-6(21(12,13)14)4-10(7)23(18,19)20/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

4 names
  • 1,3,5-Naphthalenetrisulfonic acid, 7-amino-
  • 2-Naphthylamine-4,6,8-trisulfonic acid
  • 2-Amino-4,6,8-naphthalenetrisulfonic acid
  • 7-Aminonaphthalene-1,3,5-trisulfonic acid

Work with 7-Amino-1,3,5-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

7-Amino-1,3-naphthalenedisulfonic acid86-65-767 % similar 2-Naphthylamine-4,8-disulfonic acid131-27-166 % similar 6-Amino-1,3-naphthalenedisulfonic acid118-33-262 % similar 1,3,5-Naphthalenetrisulfonic acid6654-64-460 % similar 5,6-Diamino-1,3-naphthalenedisulfonic acid73692-57-656 % similar 2,2′-Benzidinedisulfonic acid117-61-351 % similar 2-Aminophenol-4,6-disulfonic acid120-98-951 % similar Aniline-2,4-disulfonic acid137-51-950 % similar

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

Same formula

7-Amino-1,3,6-naphthalenetrisulfonic acid118-03-6

Elsewhere

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