2-Amino-4,5-dimethylbenzenesulfonic acid

C₈H₁₁NO₃SCAS 56375-83-8201.24 g/mol

Open in Covalent MOL file

Primary amine Sulfonic acid

Properties

Molecular formula: C₈H₁₁NO₃S
Molar mass: 201.24 g/mol
Exact mass: 201.0460 Da
logP: 1.13Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

56375-83-8

SMILES

Cc1cc(N)c(S(=O)(=O)O)cc1C

InChIKey

XROQUIUUGKYCQN-UHFFFAOYSA-N

InChI

InChI=1S/C8H11NO3S/c1-5-3-7(9)8(4-6(5)2)13(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

2 names

Benzenesulfonic acid, 2-amino-4,5-dimethyl-
2-Amino-4,5-dimethylbenzene-1-sulfonic acid

Work with 2-Amino-4,5-dimethylbenzenesulfonic 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-4-chloro-5-methylbenzenesulfonic acid88-51-773 % similar C Amine88-53-973 % similar 4,6-Diamino-1,3-benzenedisulfonic acid137-50-868 % similar Cresidinesulfonic acid6471-78-961 % similar 2-Amino-4,5-dichlorobenzenesulfonic acid6331-96-058 % similar 2-Amino-5-methoxy-1,4-benzenedisulfonic acid27327-48-657 % similar 5-Amino-2-methylbenzenesulfonic acid118-88-754 % similar 3-Amino-4-methylbenzenesulfonic acid618-03-154 % similar

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

Same formula

3-(1-Pyridinio)-1-propanesulfonate15471-17-7 2-Amino-3,5-dimethylbenzenesulfonic acid88-22-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook