Sodium pipesate

C8H16N2Na2O6S2CAS 76836-02-7346.32 g/mol

Open in Covalent MOL file
O−SOONNSO−OONa+Na+
Sulfonic acidTertiary amine

Properties

Molecular formula
C8H16N2Na2O6S2
Molar mass
346.32 g/mol
Exact mass
346.0245 Da
logP
-2.38Crippen estimate
Polar surface area
115.2 Ų
H-bond donors / acceptors
2 / 6
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
76836-02-7
SMILES
[O-]S(=O)(=O)CCN1CCN(CCS([O-])(=O)=O)CC1.[Na+].[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

4 names
  • 1,4-Piperazinediethanesulfonic acid, sodium salt (1:2)
  • 1,4-Piperazinediethanesulfonic acid, disodium salt
  • Disodium 1,4-piperazinebis(ethanesulfonate)
  • Piperazine-1,4-bis(2-ethanesulfonic acid) disodium salt

Work with Sodium pipesate

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.

PIPES5625-37-6Free acid Sodium 1,4-piperazinediethanesulfonate (1:1)10010-67-0Salt Sodium 1,4-piperazinediethanesulfonate (3:2)100037-69-2Salt Dipotassium piperazine-1,4-bis(2-ethanesulfonate)108321-27-3Salt

Similar compounds

Sodium HEPES75277-39-378 % similar Sodium 2-(bis(2-hydroxyethyl)amino)ethane-1-sulfonate66992-27-674 % similar Sodium 2-(N-morpholino)ethanesulfonate71119-23-874 % similar Disodium 1,2-ethanedisulfonate5325-43-964 % similar 1,3-Propanedisulfonic acid disodium salt36589-58-958 % similar Disodium butane-1,4-disulfonate36589-61-458 % similar 3-(N-Morpholino)propanesulfonic acid sodium salt71119-22-758 % similar 2-(N-Morpholino)ethanesulfonic acid potassium39946-25-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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