Piperazine-N,N′-bis(2-hydroxypropanesulfonic acid)

C₁₀H₂₂N₂O₈S₂CAS 68189-43-5362.41 g/mol

Open in Covalent MOL file

Alcohol Sulfonic acid Tertiary amine

Properties

Molecular formula: C₁₀H₂₂N₂O₈S₂
Molar mass: 362.41 g/mol
Exact mass: 362.0818 Da
logP: -2.90Crippen estimate
Polar surface area: 155.7 Å²
H-bond donors / acceptors: 4 / 8
Rotatable bonds: 8

Hazards

Warning

H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

68189-43-5

SMILES

O=S(=O)(O)CC(O)CN1CCN(CC(O)CS(=O)(=O)O)CC1

InChIKey

LVQFQZZGTZFUNF-UHFFFAOYSA-N

InChI

InChI=1S/C10H22N2O8S2/c13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20/h9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20)

Weigh it out

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

Names and synonyms

6 names

1,4-Piperazinedipropanesulfonic acid, β1,β4-dihydroxy-
1,4-Piperazinedipropanesulfonic acid, β,β′-dihydroxy-
β1,β4-Dihydroxy-1,4-piperazinedipropanesulfonic acid
POPSO
2-Hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid
1,4-Piperazinedipropanesulfonic acid, beta1,beta4-dihydroxy-

Work with Piperazine-N,N′-bis(2-hydroxypropanesulfonic acid)

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

N-2-Hydroxyethylpiperazine-N′-2-hydroxypropanesulfonic acid68399-78-080 % similar 3-[Bis(2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid68399-80-479 % similar 2-Hydroxy-3-morpholinopropanesulfonic acid68399-77-977 % similar PIPES5625-37-645 % similar CAPSO73463-39-544 % similar 3-[N,N-Bis(hydroxyethyl)amino]-2-hydroxypropanesulphonic acid sodium salt102783-62-044 % similar TAPSO68399-81-543 % similar Mopso sodium salt79803-73-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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