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

C₁₆H₁₈N₃NaO₃SCAS 62758-12-7355.39 g/mol

Open in Covalent MOL file

Azo Sulfonic acid Tertiary 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 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 6

Identifiers

CAS number

62758-12-7

SMILES

CCN(CC)c1ccc(N=Nc2ccc(S([O-])(=O)=O)cc2)cc1.[Na+]

InChIKey

KEFGAXCAAQPJJK-UHFFFAOYSA-N

InChI

InChI=1S/C16H19N3O3S.Na/c1-3-19(4-2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)23(20,21)22;/h5-12H,3-4H2,1-2H3,(H,20,21,22);

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

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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