Sodium 4-[[4-(diethylamino)phenyl]azo]benzenesulfonate

C16H18N3NaO3SCAS 62758-12-7355.39 g/mol

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NNNSO−OONa+
AzoSulfonic acidTertiary amine

Properties

Molecular formula
C16H18N3NaO3S
Molar mass
355.39 g/mol
Exact mass
355.0967 Da
logP
3.81Crippen estimate
Polar surface area
82.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
62758-12-7
SMILES
CCN(CC)c1ccc(N=Nc2ccc(S([O-])(=O)=O)cc2)cc1.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

4 names
  • Benzenesulfonic acid, 4-[2-[4-(diethylamino)phenyl]diazenyl]-, sodium salt (1:1)
  • Benzenesulfonic acid, 4-[[4-(diethylamino)phenyl]azo]-, sodium salt
  • Benzenesulfonic acid, p-[[p-(diethylamino)phenyl]azo]-, sodium salt
  • Ethyl orange sodium salt

Work with Sodium 4-[[4-(diethylamino)phenyl]azo]benzenesulfonate

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

Methyl orange547-58-068 % similar Solvent yellow 562481-94-958 % similar Acid orange 5554-73-451 % similar Sulforhodamine B3520-42-148 % similar N,N-Diethyl-4-nitrosoaniline120-22-948 % similar Chrysoine resorcinol547-57-946 % similar Acid orange 20523-44-445 % similar Sodium 4-methylbenzenesulfonate12068-03-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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