N-2-Hydroxyethylpiperazine-N′-2-hydroxypropanesulfonic acid

C₉H₂₀N₂O₅SCAS 68399-78-0268.33 g/mol

Open in Covalent MOL file

Alcohol Sulfonic acid Tertiary amine

Properties

Molecular formula: C₉H₂₀N₂O₅S
Molar mass: 268.33 g/mol
Exact mass: 268.1093 Da
logP: -2.15Crippen estimate
Polar surface area: 101.3 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 6

Hazards

Danger

H301 Toxic if swallowed90.5% of notifiers
H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

68399-78-0

SMILES

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

InChIKey

GIZQLVPDAOBAFN-UHFFFAOYSA-N

InChI

InChI=1S/C9H20N2O5S/c12-6-5-10-1-3-11(4-2-10)7-9(13)8-17(14,15)16/h9,12-13H,1-8H2,(H,14,15,16)

Weigh it out

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

Names and synonyms

7 names

1-Piperazinepropanesulfonic acid, β-hydroxy-4-(2-hydroxyethyl)-
β-Hydroxy-4-(2-hydroxyethyl)-1-piperazinepropanesulfonic acid
HEPPSO
NSC 374113
2-Hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
2-Hydroxy-3-(4-(2-hydroxyethyl)piperazin-1-yl)propane-1-sulfonicacid
1-Piperazinepropanesulfonic acid, beta-hydroxy-4-(2-hydroxyethyl)-

Work with N-2-Hydroxyethylpiperazine-N′-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

3-[Bis(2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid68399-80-493 % similar Piperazine-N,N′-bis(2-hydroxypropanesulfonic acid)68189-43-580 % similar 2-Hydroxy-3-morpholinopropanesulfonic acid68399-77-964 % similar HEPES7365-45-956 % similar 3-[N,N-Bis(hydroxyethyl)amino]-2-hydroxypropanesulphonic acid sodium salt102783-62-055 % similar N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid10191-18-153 % similar Hepps (buffer)16052-06-553 % similar PIPES5625-37-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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