2-Amino-5-methoxy-1,4-benzenedisulfonic acid

C₇H₉NO₇S₂CAS 27327-48-6283.27 g/mol

Open in Covalent MOL file

Ether Primary amine Sulfonic acid

Properties

Molecular formula: C₇H₉NO₇S₂
Molar mass: 283.27 g/mol
Exact mass: 282.9820 Da
logP: -0.23Crippen estimate
Polar surface area: 144.0 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 3

Identifiers

CAS number

27327-48-6

SMILES

COc1cc(S(=O)(=O)O)c(N)cc1S(=O)(=O)O

InChIKey

GLABVBIYGGDCNO-UHFFFAOYSA-N

InChI

InChI=1S/C7H9NO7S2/c1-15-5-3-6(16(9,10)11)4(8)2-7(5)17(12,13)14/h2-3H,8H2,1H3,(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

2 names

1,4-Benzenedisulfonic acid, 2-amino-5-methoxy-
p-Benzenedisulfonic acid, 2-amino-5-methoxy-

Work with 2-Amino-5-methoxy-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

Cresidinesulfonic acid6471-78-965 % similar 5-Amino-2-methoxybenzenesulfonic acid6470-17-362 % similar 4,6-Diamino-1,3-benzenedisulfonic acid137-50-861 % similar 2-Amino-5-methoxybenzenesulfonic acid13244-33-259 % similar 2-Amino-4,5-dimethylbenzenesulfonic acid56375-83-857 % similar 2-Aminoanisole-4-sulfonic acid98-42-055 % similar 2-Amino-4,5-dichlorobenzenesulfonic acid6331-96-053 % similar 7-Amino-1,3,6-naphthalenetrisulfonic acid118-03-650 % similar

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

Elsewhere

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