chempirical

2-Aminoanisole-4-sulfonic acid

C7H9NO4SCAS 98-42-0203.21 g/mol

Open in Covalent MOL file
OSOOOHH2N
EtherPrimary amineSulfonic acid

Properties

Molecular formula
C7H9NO4S
Molar mass
203.21 g/mol
Exact mass
203.0252 Da
Melting point
62 °C
logP
0.52Crippen estimate
Polar surface area
89.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
98-42-0
SMILES
COc1ccc(S(=O)(=O)O)cc1N
InChIKey
FLIOATBXVNLPLK-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO4S/c1-12-7-3-2-5(4-6(7)8)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, 3-amino-4-methoxy-
  • Metanilic acid, 4-methoxy-
  • 3-Amino-4-methoxybenzenesulfonic acid
  • o-Anisidine-p-sulfonic acid
  • 2-Methoxy-5-sulfoaniline
  • 2-Methoxyaniline-5-sulfonic acid
  • o-Anisidine-4-sulfonic acid
  • NSC 74459
  • 3-Amino-4-methoxybenzene-1-sulfonic acid
  • 2-Anisidine-4-sulfonic acid

Work with 2-Aminoanisole-4-sulfonic 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 acid7474-78-464 % similar 3-Amino-4-methoxybenzenesulfonyl fluoride498-74-862 % similar 3-Amino-4-methylbenzenesulfonic acid618-03-161 % similar 2-Amino-1,4-benzenedisulfonic acid98-44-260 % similar 3-Amino-N,N-diethyl-4-methoxybenzenesulfonamide97-35-859 % similar 3-Amino-4-hydroxybenzenesulfonic acid98-37-358 % similar 4-Amino-3-methylbenzenesulfonic acid98-33-957 % similar 3-Amino-4-chlorobenzenesulfonic acid98-36-257 % similar

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

Same formula

2-Amino-5-methoxybenzenesulfonic acid13244-33-2 5-Amino-2-methoxybenzenesulfonic acid6470-17-3

Elsewhere

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