1-Piperazinepropanesulfonic acid, beta-hydroxy-4-(2-hydroxyethyl)-
Basic information
- CAS
68399-78-0- Standard SMILES
O=S(=O)(O)CC(O)CN1CCN(CCO)CC1- InChIKey
GIZQLVPDAOBAFN-UHFFFAOYSA-N- Molecular formula
- C9H20N2O5S
- Average molar mass
- 268.33 g/mol
- Monoisotopic mass
- 268.10929292
Overview
HEPPSO is a N-(2-hydroxyethyl)piperazine and a N-(sulfoalkyl)piperazine.
Names & identifiers
- Preferred name
- 1-Piperazinepropanesulfonic acid, beta-hydroxy-4-(2-hydroxyethyl)-
- IUPAC
- 2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
- English name
- HEPPSO
- Molecular formula
- C9H20N2O5S
- Molecular weight
- 268.33
Names & synonyms
NSC 3741131-Piperazinepropanesulfonic acid, .beta.-hydroxy-4-(2-hydroxyethyl)-EINECS 269-990-1DTXSID008873531-Piperazinepropanesulfonic acid, beta-hydroxy-4-(2-hydroxyethyl)-RefChem:435794DTXCID70872817HEPPSO68399-78-02-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid2-Hydroxy-3-(4-(2-hydroxyethyl)piperazin-1-yl)propane-1-sulfonic acidN-(Hydroxyethyl)piperazine-N'-2-hydroxypropanesulfonic acid
Show more names
beta-hyHEPPSO 99+%HEPPSO 98+%HEPPSO BufferHEPPSO HydrateHEPPSO ULTRAPUREHEPPSO, FREE ACIDHEPPSO Hydrate, >=99%LABOTEST-BB LT00138033
MFCD000383513-[4-(2-Hydroxyethyl)-1-piperazinyl]-2-hydroxypropanesulfonic Acid2-Hydroxy-3-[4-(2-hydroxyethyl)-1-piperazinyl]propane-1-sulfonic Acidbeta-Hydroxy-4-(2-hydroxyethyl)piperazine-1-propanesulphonic acidNSC3741134-(2-Hydroxyethyl)piperazine-1-(2-hydroxypropane-3-sulfonic Acid)beta-hydroxy-4-(2-hydroxyethyl)-1-piperazinepropanesulfonic acid4-(2-Hydroxyethyl)piperazine-1-(2-hydroxypropane sulfonic acid)Free Acid
Properties
Computed structural properties
- XLogP
- -4.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 158 · 158-160°C
- Density
- 1.382 · 1.382±0.06 g/cm3(Predicted)
- Water Solubility
- almost transparency in Water
- pka
- 1.1 · 1.10±0.50(Predicted)
- form
- Liquid
- color
- White to Almost white
- 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)
- InChIKey
- GIZQLVPDAOBAFN-UHFFFAOYSA-N
- SMILES
- N1(CCN(CCO)CC1)CC(O)CS(=O)(=O)O
- CAS DataBase Reference
- 68399 · 68399-78-0(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · 1-Piperazinepropanesulfonic acid, .beta.-hydroxy-4-(2-hydroxyethyl)- (68399-78-0)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (90.5%): Toxic if swallowed [Danger Acute toxicity, oral]
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, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1-Piperazinepropanesulfonic acid, .beta.-hydroxy-4-(2-hydroxyethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 3 (90.5%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29335995
- risk_code
- 25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T,Xi
- safety_code
- 26-36-45-24/25
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P280-P301+P310-P362+P364
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Piperazinepropanesulfonic acid, .beta.-hydroxy-4-(2-hydroxyethyl)-: INACTIVE
Applications
UsesHEPPSO shows no toxicity for crustaceans with which it has been studied and has been deemed suitable for toxicological studies. As an zwitterionic biological buffer, it often used in biological and biochemical research. It could used as an ampholytic separator to create a pH gradient in isoelectric focusing. HEPPSO is able to form radicals and is thus not suitable for redox reactions. It could forms a complex with Cu(II) ions so stability constants and concentrations should be taken into consideration when using this buffer in a solution containing copper ions. Although HEPPSO binds to coppers ions, it is still suitable for use as the bicinchoninic acid (BCA) assay. Diminished protein-induced color development can be accounted for or even eliminated through precipitating protein prior to reaction with bicinchoninic acid.
UsesHEPPSO is a zwitterionic buffer used in GMP-manufacturing of advanced therapy medication products.
Additional notes
DefinitionChEBI: HEPPSO is a N-(2-hydroxyethyl)piperazine and a N-(sulfoalkyl)piperazine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…