chempirical

5-Amino-2-methoxybenzenesulfonic acid

C7H9NO4SCAS 6470-17-3203.21 g/mol

Open in Covalent MOL file
ONH2SOOOH
EtherPrimary amineSulfonic acid

Properties

Molecular formula
C7H9NO4S
Molar mass
203.21 g/mol
Exact mass
203.0252 Da
logP
0.52Crippen estimate
Polar surface area
89.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
6470-17-3
SMILES
COc1ccc(N)cc1S(=O)(=O)O
InChIKey
JXZGTFLJFKLVAX-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO4S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)

Weigh it out

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

Names and synonyms

9 names
  • Benzenesulfonic acid, 5-amino-2-methoxy-
  • Metanilic acid, 6-methoxy-
  • 1-Amino-4-methoxy-3-benzenesulfonic acid
  • 3-Amino-6-methoxybenzenesulfonic acid
  • p-Anisidine-3-sulfonic acid
  • 6-Methoxymetanilic acid
  • NSC 7546
  • 4-Methoxyaniline-3-sulfonic acid
  • 1-Amino-4-methoxybenzene-3-sulphonic acid

Work with 5-Amino-2-methoxybenzenesulfonic 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

2,5-Diaminobenzenesulfonic acid88-45-963 % similar 2-Amino-5-methoxy-1,4-benzenedisulfonic acid27327-48-662 % similar 2,2′-Benzidinedisulfonic acid117-61-360 % similar 5-Amino-2-methylbenzenesulfonic acid118-88-759 % similar 2,4-Diaminoanisole sulfate39156-41-759 % similar 2,4-Diaminobenzenesulfonic acid88-63-158 % similar 4,4′-Diamino-2,2′-stilbenedisulfonic acid81-11-855 % similar 5-Amino-2-chlorobenzenesulfonic acid88-43-755 % similar

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

Same formula

2-Amino-5-methoxybenzenesulfonic acid13244-33-2 2-Aminoanisole-4-sulfonic acid98-42-0

Elsewhere

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