chempirical

2-Aminophenol-4,6-disulfonic acid

C6H7NO7S2CAS 120-98-9269.24 g/mol

Open in Covalent MOL file
NH2SOOOHSOOOHHO
PhenolPrimary amineSulfonic acid

Properties

Molecular formula
C6H7NO7S2
Molar mass
269.24 g/mol
Exact mass
268.9664 Da
logP
-0.53Crippen estimate
Polar surface area
155.0 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2

Identifiers

CAS number
120-98-9
SMILES
Nc1cc(S(=O)(=O)O)cc(S(=O)(=O)O)c1O
InChIKey
HTYRTGGIOAMLRR-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO7S2/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14/h1-2,8H,7H2,(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

6 names
  • 1,3-Benzenedisulfonic acid, 5-amino-4-hydroxy-
  • m-Benzenedisulfonic acid, 5-amino-4-hydroxy-
  • 1-Phenol-2,4-disulfonic acid, 6-amino-
  • 5-Amino-4-hydroxy-1,3-benzenedisulfonic acid
  • 5-Amino-4-hydroxy-m-benzenedisulfonic acid
  • 6-Amino-1-phenol-2,4-disulfonic acid

Work with 2-Aminophenol-4,6-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-Amino-5-chloro-2-hydroxybenzenesulfonic acid88-23-366 % similar 3-Amino-2-hydroxy-5-sulfobenzoic acid6201-86-159 % similar Aniline-2,4-disulfonic acid137-51-959 % similar 2-Amino-1,4-benzenedisulfonic acid98-44-259 % similar 2-Amino-4-nitrophenol-6-sulfonic acid96-67-357 % similar 3-Amino-4-hydroxy-5-nitrobenzenesulfonic acid96-93-557 % similar 3,5-Diamino-4-methylbenzenesulfonic acid98-25-956 % similar 7-Amino-1,3,6-naphthalenetrisulfonic acid118-03-655 % similar

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

Elsewhere

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