Barium diphenylamine-4-sulfonate

C₂₄H₂₀BaN₂O₆S₂CAS 6211-24-1633.88 g/mol

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Secondary amine Sulfonic acid

Properties

Molecular formula: C₂₄H₂₀BaN₂O₆S₂
Molar mass: 633.88 g/mol
Exact mass: 633.9815 Da
logP: 2.30Crippen estimate
Polar surface area: 66.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

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

6211-24-1

SMILES

[O-]S(=O)(=O)c1ccc(Nc2ccccc2)cc1.[O-]S(=O)(=O)c1ccc(Nc2ccccc2)cc1.[Ba+2]

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-(phenylamino)-, barium salt (2:1)
Sulfanilic acid, N-phenyl-, barium salt (2:1)
N-Phenylsufanilic acid barium salt
Diphenylamine-4-sulfonic acid barium salt

Work with Barium diphenylamine-4-sulfonate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sodium diphenylamine-4-sulfonate6152-67-6Salt

Similar compounds

Acid orange 5554-73-469 % similar Sodium benzenesulfonate515-42-455 % similar Metanil yellow587-98-455 % similar N,N′-Diphenyl-p-phenylenediamine74-31-746 % similar C.I. Mordant black 131324-21-644 % similar Diphenylamine122-39-443 % similar 8-Anilino-1-naphthalenesulfonate magnesium salt18108-68-442 % similar Sodium 2-naphthalenesulfonate532-02-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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