Sodium 1,4-piperazinediethanesulfonate (3:2)

C₈H₁₇N₂NaO₆S₂CAS 100037-69-2324.34 g/mol

Open in Covalent MOL file

Sulfonic acid Tertiary amine

Properties

Molecular formula: C₈H₁₇N₂NaO₆S₂
Molar mass: 324.34 g/mol
Exact mass: 324.0426 Da
logP: -2.00Crippen estimate
Polar surface area: 115.2 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 6

Identifiers

CAS number

100037-69-2

SMILES

[O-]S(=O)(=O)CCN1CCN(CCS(=O)(=O)O)CC1.[Na+]

InChIKey

DWRMIRJHBQXKHV-UHFFFAOYSA-N

InChI

InChI=1S/C8H18N2O6S2.Na/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;/h1-8H2,(H,11,12,13)(H,14,15,16);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1,4-Piperazinediethanesulfonic acid, sodium salt (2:3)

Work with Sodium 1,4-piperazinediethanesulfonate (3:2)

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 pipesate76836-02-775 % similar Sodium hepes75277-39-367 % similar Pipes5625-37-664 % similar Sodium 2-(N-morpholino)ethanesulfonate71119-23-859 % similar Dipotassium piperazine-1,4-bis(2-ethanesulfonate)108321-27-358 % similar Hepes7365-45-955 % similar N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid10191-18-152 % similar Mes (buffer)4432-31-950 % similar

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

Same formula

Sodium 1,4-piperazinediethanesulfonate (1:1)10010-67-0

Elsewhere

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