5,6-Diamino-1,3-naphthalenedisulfonic acid

C₁₀H₁₀N₂O₆S₂CAS 73692-57-6318.32 g/mol

Open in Covalent MOL file

Primary amine Sulfonic acid

Properties

Molecular formula: C₁₀H₁₀N₂O₆S₂
Molar mass: 318.32 g/mol
Exact mass: 317.9980 Da
logP: 0.50Crippen estimate
Polar surface area: 160.8 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 2

Identifiers

CAS number

73692-57-6

SMILES

Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1N

InChIKey

KHEHRJJAWUJGDW-UHFFFAOYSA-N

InChI

InChI=1S/C10H10N2O6S2/c11-8-2-1-6-7(10(8)12)3-5(19(13,14)15)4-9(6)20(16,17)18/h1-4H,11-12H2,(H,13,14,15)(H,16,17,18)

Weigh it out

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

Names and synonyms

2 names

1,3-Naphthalenedisulfonic acid, 5,6-diamino-
1,2-Diamino-5,7-naphthalenedisulfonic acid

Work with 5,6-Diamino-1,3-naphthalenedisulfonic 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

Aniline-2,4-disulfonic acid137-51-959 % similar 7-Amino-1,3,5-naphthalenetrisulfonic acid27310-25-456 % similar 1,3,5-Naphthalenetrisulfonic acid6654-64-456 % similar 7-Amino-1,3,6-naphthalenetrisulfonic acid118-03-656 % similar 6-Amino-1,3-naphthalenedisulfonic acid118-33-255 % similar 4-Amino-5-hydroxy-1,7-naphthalenedisulfonic acid130-23-455 % similar 2-Aminophenol-4,6-disulfonic acid120-98-953 % similar 2-Amino-5-hydroxy-1,7-naphthalenedisulfonic acid6535-70-252 % similar

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

Elsewhere

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