Sodium 2,4-dimethylaniline-6-sulfonate

C₈H₁₀NNaO₃SCAS 64501-85-5223.22 g/mol

Open in Covalent MOL file

Primary amine Sulfonic acid

Properties

Molecular formula: C₈H₁₀NNaO₃S
Molar mass: 223.22 g/mol
Exact mass: 223.0279 Da
logP: 0.75Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

64501-85-5

SMILES

Cc1cc(C)c(N)c(S([O-])(=O)=O)c1.[Na+]

InChIKey

ITXVLCSEWYNJER-UHFFFAOYSA-N

InChI

InChI=1S/C8H11NO3S.Na/c1-5-3-6(2)8(9)7(4-5)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-3,5-dimethyl-, sodium salt (1:1)
Benzenesulfonic acid, 2-amino-3,5-dimethyl-, monosodium salt

Work with Sodium 2,4-dimethylaniline-6-sulfonate

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

Sodium 2,4,6-trimethylbenzenesulfonate6148-75-060 % similar Sodium 2,4-dimethylbenzenesulfonate827-21-459 % similar 2-Amino-3,5-dimethylbenzenesulfonic acid88-22-258 % similar Sodium 2-amino-4-chloro-5-methylbenzenesulfonate6627-59-450 % similar 2,4,6-Trimethylaniline88-05-150 % similar 2,4-Dimethyl-6-nitroaniline1635-84-343 % similar Sodium xylenesulfonate1300-72-743 % similar Sodium 4-methylbenzenesulfonate12068-03-042 % similar

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

Elsewhere

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