Sodium 3-[(3,5-dimethylphenyl)ethylamino]-2-hydroxy-1-propanesulfonate (1:1)

C13H20NNaO4SCAS 82692-97-5309.36 g/mol

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NHOSO−OONa+
AlcoholSulfonic acidTertiary amine

Properties

Molecular formula
C13H20NNaO4S
Molar mass
309.36 g/mol
Exact mass
309.1011 Da
logP
1.00Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

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
82692-97-5
SMILES
CCN(CC(O)CS([O-])(=O)=O)c1cc(C)cc(C)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

3 names
  • 1-Propanesulfonic acid, 3-[(3,5-dimethylphenyl)ethylamino]-2-hydroxy-, sodium salt (1:1)
  • 1-Propanesulfonic acid, 3-[(3,5-dimethylphenyl)ethylamino]-2-hydroxy-, monosodium salt
  • MAOS

Work with Sodium 3-[(3,5-dimethylphenyl)ethylamino]-2-hydroxy-1-propanesulfonate (1:1)

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

TOOS sodium salt82692-93-180 % similar Sodium 3-(ethyl(3-methoxyphenyl)amino)-2-hydroxypropane-1-sulfonate dihydrate82692-96-459 % similar Sodium 4,4'-((3,5-dimethylphenyl)azanediyl)bis(butane-1-sulfonate)209518-16-151 % similar Sodium 3-(N-ethyl-3-methylanilino)propanesulfonate40567-80-447 % similar 3-[N,N-Bis(hydroxyethyl)amino]-2-hydroxypropanesulphonic acid sodium salt102783-62-045 % similar Sodium 1-chloro-2-hydroxypropane-3-sulfonate126-83-045 % similar Mopso sodium salt79803-73-944 % similar N-(2-Hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt82692-88-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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