Sodium 2-hydroxy-1-(4-(2-hydroxyethyl)piperazin-1-yl)propane-1-sulfonate

C₉H₁₉N₂NaO₅SCAS 89648-37-3290.31 g/mol

Open in Covalent MOL file

Alcohol Sulfonic acid Tertiary amine

Properties

Molecular formula: C₉H₁₉N₂NaO₅S
Molar mass: 290.31 g/mol
Exact mass: 290.0912 Da
logP: -5.15Crippen estimate
Polar surface area: 104.1 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 5

Hazards

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

Identifiers

CAS number

89648-37-3

SMILES

CC(C(N1CCN(CC1)CCO)S(=O)(=O)[O-])O.[Na+]

InChIKey

JKPPLRCAXJSWBR-UHFFFAOYSA-M

InChI

InChI=1S/C9H20N2O5S.Na/c1-8(13)9(17(14,15)16)11-4-2-10(3-5-11)6-7-12;/h8-9,12-13H,2-7H2,1H3,(H,14,15,16);/q;+1/p-1

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Names and synonyms

1 names

Heppso sodium

Work with Sodium 2-hydroxy-1-(4-(2-hydroxyethyl)piperazin-1-yl)propane-1-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

Similar compounds

Sodium HEPES75277-39-345 % similar Sodium 2-(bis(2-hydroxyethyl)amino)ethane-1-sulfonate66992-27-643 % similar 2-(4-Isopropylpiperazin-1-yl)ethanol103069-50-741 % similar 3-[N,N-Bis(hydroxyethyl)amino]-2-hydroxypropanesulphonic acid sodium salt102783-62-041 % similar Sodium glyoxal bisulfite517-21-534 % similar N-2-Hydroxyethylpiperazine-N′-2-hydroxypropanesulfonic acid68399-78-034 % similar Trisodium HEDTA139-89-933 % similar HEPES7365-45-933 % similar

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

Elsewhere

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