Sodium 2,4-dimethylaniline-6-sulfonate

C8H10NNaO3SCAS 64501-85-5223.22 g/mol

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NH2SO−OONa+
Primary amineSulfonic 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
64501-85-5
SMILES
Cc1cc(C)c(N)c(S([O-])(=O)=O)c1.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Amino-3,5-dimethylbenzenesulfonic acid88-22-2Free acid

Similar compounds

Sodium 2,4,6-trimethylbenzenesulfonate6148-75-060 % similar Sodium 2,4-dimethylbenzenesulfonate827-21-459 % 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 Evan's blue314-13-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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