chempirical

4,4′-Diamino-2,2′-stilbenedisulfonic acid

C14H14N2O6S2CAS 81-11-8370.39 g/mol

Open in Covalent MOL file
H2NNH2SOOOHSOOOH
AlkenePrimary amineSulfonic acid

Properties

Molecular formula
C14H14N2O6S2
Molar mass
370.39 g/mol
Exact mass
370.0293 Da
Melting point
above 300 °C
logP
1.51Crippen estimate
Polar surface area
160.8 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
4

Identifiers

CAS number
81-11-8
SMILES
Nc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1
InChIKey
REJHVSOVQBJEBF-UHFFFAOYSA-N
InChI
InChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)

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

Names and synonyms

13 names · show all
  • Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-amino-
  • 2,2′-Stilbenedisulfonic acid, 4,4′-diamino-
  • 2,2′-(1,2-Ethenediyl)bis[5-aminobenzenesulfonic acid]
  • Amsonic acid
  • DASD
  • p,p′-Diaminodiphenylethylene-o,o′-disulfonic acid
  • Flavonic acid
  • p,p′-Diaminostilbene-o,o′-disulfonic acid
  • 2,2′-Disulfo-4,4′-stilbenediamine
  • Diaminostilbenedisulfonic acid
  • DAS
  • NSC 163
  • DSD acid

Work with 4,4′-Diamino-2,2′-stilbenedisulfonic 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

5-Amino-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid119-72-272 % similar 2,2′-Benzidinedisulfonic acid117-61-366 % similar 2,5-Diaminobenzenesulfonic acid88-45-964 % similar 5-Amino-2-methylbenzenesulfonic acid118-88-760 % similar 5-Amino-2-chlorobenzenesulfonic acid88-43-760 % similar 2,4-Diaminobenzenesulfonic acid88-63-159 % similar 5-Amino-2-methoxybenzenesulfonic acid6470-17-355 % similar 4,4′-Diaminodiphenylamine-2-sulfonic acid119-70-054 % similar

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

Elsewhere

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