chempirical

4,6-Diamino-1,3-benzenedisulfonic acid

C6H8N2O6S2CAS 137-50-8268.26 g/mol

Open in Covalent MOL file
H2NNH2SOOOHSOOOH
Primary amineSulfonic acid

Properties

Molecular formula
C6H8N2O6S2
Molar mass
268.26 g/mol
Exact mass
267.9824 Da
logP
-0.66Crippen estimate
Polar surface area
160.8 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2

Identifiers

CAS number
137-50-8
SMILES
Nc1cc(N)c(S(=O)(=O)O)cc1S(=O)(=O)O
InChIKey
YADSWTKOIHUSDX-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O6S2/c7-3-1-4(8)6(16(12,13)14)2-5(3)15(9,10)11/h1-2H,7-8H2,(H,9,10,11)(H,12,13,14)

Weigh it out

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

Names and synonyms

8 names
  • 1,3-Benzenedisulfonic acid, 4,6-diamino-
  • m-Benzenedisulfonic acid, 4,6-diamino-
  • 4,6-Diamino-m-benzenedisulfonic acid
  • 1,3-Phenylenediamine-4,6-disulfonic acid
  • 1,3-Diamino-4,6-benzenedisulfonic acid
  • 2,4-Diamino-1,5-benzenedisulfonic acid
  • 4,6-Disulfo-1,3-diaminobenzene
  • 4,6-Disulfo-1,3-phenylenediamine

Work with 4,6-Diamino-1,3-benzenedisulfonic 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

2-Amino-4,5-dimethylbenzenesulfonic acid56375-83-868 % similar 2-Amino-4,5-dichlorobenzenesulfonic acid6331-96-068 % similar Aniline-2,4-disulfonic acid137-51-962 % similar 2,5-Diaminobenzenesulfonic acid88-45-962 % similar 2,4-Diaminobenzenesulfonic acid88-63-162 % similar 2-Amino-1,4-benzenedisulfonic acid98-44-262 % similar 2-Amino-5-methoxy-1,4-benzenedisulfonic acid27327-48-661 % similar 2-Amino-5-chlorobenzenesulfonic acid133-74-458 % similar

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

Elsewhere

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