chempirical

2-Amino-5-methoxybenzenesulfonic acid

C7H9NO4SCAS 13244-33-2203.21 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
Melting point
above 232 °C (decomposes)
logP
0.52Crippen estimate
Polar surface area
89.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
13244-33-2
SMILES
COc1ccc(N)c(S(=O)(=O)O)c1
InChIKey
KZKGEEGADAWJFS-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO4S/c1-12-5-2-3-6(8)7(4-5)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

10 names
  • Benzenesulfonic acid, 2-amino-5-methoxy-
  • 4-Aminoanisole-3-sulfonic acid
  • 4-Methoxy-2-sulfoaniline
  • 4-Amino-3-sulfoanisole
  • 1-Amino-4-methoxybenzene-2-sulfonic acid
  • 4-Methoxyaniline-2-sulfonic acid
  • 4-Methoxy-1-aminobenzene-2-sulfonic acid
  • 4-Anisidine-2-sulfonic acid
  • 6-Amino-3-methoxybenzenesulfonic acid
  • 2-Amino-5-methoxybenzene-1-sulfonic acid

Work with 2-Amino-5-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

Aniline-2,4-disulfonic acid137-51-960 % similar 2,5-Diaminobenzenesulfonic acid88-45-960 % similar 2-Amino-5-methoxy-1,4-benzenedisulfonic acid27327-48-659 % similar 2-Amino-5-chlorobenzenesulfonic acid133-74-457 % similar 4,6-Diamino-1,3-benzenedisulfonic acid137-50-855 % similar 4-Methoxy-1,2-phenylenediamine102-51-252 % similar 2-Amino-4,5-dimethylbenzenesulfonic acid56375-83-851 % similar Cresidinesulfonic acid6471-78-951 % similar

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

Same formula

5-Amino-2-methoxybenzenesulfonic acid6470-17-3 2-Aminoanisole-4-sulfonic acid98-42-0

Elsewhere

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