4,4′-Diaminodiphenylamine-2-sulfonic acid

C₁₂H₁₃N₃O₃SCAS 119-70-0279.31 g/mol

Open in Covalent MOL file

Primary amine Secondary amine Sulfonic acid

Properties

Molecular formula: C₁₂H₁₃N₃O₃S
Molar mass: 279.31 g/mol
Exact mass: 279.0678 Da
logP: 1.84Crippen estimate
Polar surface area: 118.4 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 3

Identifiers

CAS number

119-70-0

SMILES

Nc1ccc(Nc2ccc(N)cc2S(=O)(=O)O)cc1

InChIKey

VKURVCNKVWKGLX-UHFFFAOYSA-N

InChI

InChI=1S/C12H13N3O3S/c13-8-1-4-10(5-2-8)15-11-6-3-9(14)7-12(11)19(16,17)18/h1-7,15H,13-14H2,(H,16,17,18)

Weigh it out

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

Names and synonyms

12 names

Benzenesulfonic acid, 5-amino-2-[(4-aminophenyl)amino]-
Benzenesulfonic acid, 5-amino-2-(p-aminoanilino)-
5-Amino-2-[(4-aminophenyl)amino]benzenesulfonic acid
5-Amino-2-(p-aminoanilino)benzenesulfonic acid
6-(p-Aminoanilino)metanilic acid
4-(p-Aminoanilino)-3-sulfo-1-aminobenzene
4-(p-Aminoanilino)-3-sulfoaniline
4,4′-Diamino-2-sulfodiphenylamine
5-Amino-2-(4-aminophenylamino)benzenesulfonic acid
NSC 4706
NSC 5622
MAC 0021939

Work with 4,4′-Diaminodiphenylamine-2-sulfonic 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-(phenylamino)benzenesulfonic acid91-30-583 % similar 2-[(4-Aminophenyl)amino]-5-nitrobenzenesulfonic acid91-29-268 % similar 2,5-Diaminobenzenesulfonic acid88-45-961 % similar 2,2′-Benzidinedisulfonic acid117-61-358 % similar 2,4-Diaminobenzenesulfonic acid88-63-157 % similar 5-Amino-2-methylbenzenesulfonic acid118-88-754 % similar 4,4′-Diamino-2,2′-stilbenedisulfonic acid81-11-854 % similar 5-Amino-2-chlorobenzenesulfonic acid88-43-754 % similar

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

Elsewhere

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