4-Amino-5-methoxy-2-toluenesulfonic acid

C₈H₁₁NO₄SCAS 6471-78-9217.24 g/mol

Open in Covalent MOL file

Ether Primary amine Sulfonic acid

Properties

Molecular formula: C₈H₁₁NO₄S
Molar mass: 217.24 g/mol
Exact mass: 217.0409 Da
logP: 0.83Crippen estimate
Polar surface area: 89.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Danger

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
H315 Causes skin irritation75% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6471-78-9

SMILES

COc1cc(S(=O)(=O)O)c(C)cc1N

InChIKey

JBAVAJIXZVRJHT-UHFFFAOYSA-N

InChI

InChI=1S/C8H11NO4S/c1-5-3-6(9)7(13-2)4-8(5)14(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)

Weigh it out

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

Names and synonyms

8 names

Cresidinesulfonic acid
Benzenesulfonic acid, 4-amino-5-methoxy-2-methyl-
o-Toluenesulfonic acid, 4-amino-5-methoxy-
4-Amino-5-methoxy-2-methylbenzenesulfonic acid
Cresidine-p-sulfonic acid
2-Methyl-4-amino-5-methoxybenzenesulfonic acid
4-Amino-5-methoxy-o-toluenesulfonic acid
2-Methoxy-5-methyl-4-sulfoaniline

Work with 4-Amino-5-methoxy-2-toluenesulfonic 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-Amino-5-methoxy-1,4-benzenedisulfonic acid27327-48-665 % similar 2-Amino-4,5-dimethylbenzenesulfonic acid56375-83-861 % similar 4-Amino-5-methoxy-N,2-dimethylbenzenesulfonamide49564-57-061 % similar 2-Aminoanisole-4-sulfonic acid98-42-055 % similar 5-Amino-2-methoxybenzenesulfonic acid6470-17-354 % similar C Amine88-53-954 % similar 2-Amino-5-methoxybenzenesulfonic acid13244-33-251 % similar 5-Amino-2-methylbenzenesulfonic acid118-88-750 % similar

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

Same formula

2,5-Dimethoxybenzenesulfonamide19116-90-6 2-(1,1-Dimethoxyethyl)thiazole-5-carboxylic acid2168221-63-2 1-(2-Hydroxy-3-sulfopropyl)pyridinium betaine3918-73-8

Elsewhere

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