chempirical

2-Amino-1,4-benzenedisulfonic acid

C6H7NO6S2CAS 98-44-2253.24 g/mol

Open in Covalent MOL file
NH2SOOOHSOOHO
Primary amineSulfonic acid

Properties

Molecular formula
C6H7NO6S2
Molar mass
253.24 g/mol
Exact mass
252.9715 Da
Melting point
198–199 °C
logP
-0.24Crippen estimate
Polar surface area
134.8 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2

Identifiers

CAS number
98-44-2
SMILES
Nc1cc(S(=O)(=O)O)ccc1S(=O)(=O)O
InChIKey
LDCCBULMAFILCT-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO6S2/c7-5-3-4(14(8,9)10)1-2-6(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

12 names
  • 1,4-Benzenedisulfonic acid, 2-amino-
  • p-Benzenedisulfonic acid, 2-amino-
  • 2-Amino-p-benzenedisulfonic acid
  • 2-Amino-1,4-disulfobenzene
  • Aniline-2,5-disulfonic acid
  • 2,5-Disulfo-1-aminobenzene
  • 2,5-Disulfoaniline
  • 4-Sulfometanilic acid
  • 1-Anilino-2,5-disulfonic acid
  • 1-Amino-2,5-benzenedisulfonic acid
  • 6-Aminobenzene-1,4-disulfonic acid
  • NSC 5580

Work with 2-Amino-1,4-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

3,4-Diaminobenzenesulfonic acid7474-78-472 % similar 2-Aminobenzene-1,4-sulfonic acid monosodium salt24605-36-569 % similar 2,4-Diaminobenzenesulfonic acid88-63-168 % similar 3-Amino-4-hydroxybenzenesulfonic acid98-37-366 % similar 3-Amino-4-methylbenzenesulfonic acid618-03-164 % similar 3-Amino-4-chlorobenzenesulfonic acid98-36-264 % similar 4,6-Diamino-1,3-benzenedisulfonic acid137-50-862 % similar 2-Aminoanisole-4-sulfonic acid98-42-060 % similar

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

Same formula

Aniline-2,4-disulfonic acid137-51-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook