3-(N-Morpholino)propanesulfonic acid sodium salt

C7H14NNaO4SCAS 71119-22-7231.24 g/mol

Open in Covalent MOL file
O−SOONONa+
EtherSulfonic acidTertiary amine

Properties

Molecular formula
C7H14NNaO4S
Molar mass
231.24 g/mol
Exact mass
231.0541 Da
logP
-0.78Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

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
71119-22-7
SMILES
[O-]S(=O)(=O)CCCN1CCOCC1.[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

5 names
  • 4-Morpholinepropanesulfonic acid, sodium salt (1:1)
  • 4-Morpholinepropanesulfonic acid, sodium salt
  • WAS-16
  • Sodium 3-(N-morpholino)propanesulfonic acid
  • Sodium 3-(N-morpholino)propanesulfonate

Work with 3-(N-Morpholino)propanesulfonic acid sodium salt

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.

MOPS1132-61-2Free acid

Similar compounds

Sodium 2-(N-morpholino)ethanesulfonate71119-23-880 % similar 2-(N-Morpholino)ethanesulfonic acid potassium39946-25-364 % similar Sodium pipesate76836-02-758 % similar 1,3-Propanedisulfonic acid disodium salt36589-58-955 % similar Disodium butane-1,4-disulfonate36589-61-455 % similar Mopso sodium salt79803-73-953 % similar Sodium 2-(bis(2-hydroxyethyl)amino)ethane-1-sulfonate66992-27-650 % similar Sodium 2-hydroxy-3-(2-propynyloxy)-1-propanesulfonate30290-53-049 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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