Aniline-2,4-disulfonic acid

C₆H₇NO₆S₂CAS 137-51-9253.24 g/mol

Open in Covalent MOL file

Primary amine Sulfonic acid

Properties

Molecular formula: C₆H₇NO₆S₂
Molar mass: 253.24 g/mol
Exact mass: 252.9715 Da
logP: -0.24Crippen estimate
Polar surface area: 134.8 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 2

Identifiers

CAS number

137-51-9

SMILES

Nc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O

InChIKey

IMUUNYPYNWXUBO-UHFFFAOYSA-N

InChI

InChI=1S/C6H7NO6S2/c7-5-2-1-4(14(8,9)10)3-6(5)15(11,12)13/h1-3H,7H2,(H,8,9,10)(H,11,12,13)

Weigh it out

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

Names and synonyms

7 names

1,3-Benzenedisulfonic acid, 4-amino-
m-Benzenedisulfonic acid, 4-amino-
4-Amino-1,3-benzenedisulfonic acid
4-Amino-m-benzenedisulfonic acid
1-Amino-2,4-benzenedisulfonic acid
2-Aminobenzene-1,5-disulfonic acid
6-Amino-1,3-benzenedisulfonic acid

Work with Aniline-2,4-disulfonic 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

3,4-Diaminobenzenesulfonic acid7474-78-472 % similar 4-Amino-3-methylbenzenesulfonic acid98-33-969 % similar Fast yellow ab101-50-869 % similar 2,5-Diaminobenzenesulfonic acid88-45-968 % similar 2-Amino-5-chlorobenzenesulfonic acid133-74-464 % similar 2-Amino-5-methylbenzenesulfonic acid88-44-864 % similar 4,6-Diamino-1,3-benzenedisulfonic acid137-50-862 % similar 3-Amino-4-hydroxybenzenesulfonic acid98-37-361 % similar

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

Same formula

2-Amino-1,4-benzenedisulfonic acid98-44-2

Elsewhere

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