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β-Hydroxy-4-(2-hydroxyethyl)piperazin-1-propansulfonsure

1-Piperazinepropanesulfonic acid, beta-hydroxy-4-(2-hydroxyethyl)-

HCID 100205
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Grundinformationen

CAS
68399-78-0
Standard-SMILES
O=S(=O)(O)CC(O)CN1CCN(CCO)CC1
InChIKey
GIZQLVPDAOBAFN-UHFFFAOYSA-N
Summenformel
C9H20N2O5S
Durchschnittliche Molmasse
268,33 g/mol
Monoisotopische Masse
268,10929292

Überblick

HEPPSO is a N-(2-hydroxyethyl)piperazine and a N-(sulfoalkyl)piperazine.

Namen und Bezeichner

Bevorzugter Name
1-Piperazinepropanesulfonic acid, beta-hydroxy-4-(2-hydroxyethyl)-
IUPAC
2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
Lokaler Name
β-Hydroxy-4-(2-hydroxyethyl)piperazin-1-propansulfonsure
Englischer Name
HEPPSO
Summenformel
C9H20N2O5S
Molmasse
268.33

Namen und Synonyme

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
Weitere Namen anzeigen
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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-4,6
Polarare Oberfläche (TPSA)
110 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
7
Frei drehbare Bindungen
6
Schwere Atome
17
Formalladung
0
Komplexität
308

Physikochemische Eigenschaften

Schmelzpunkt
158 · 158-160°C
Dichte
1.382 · 1.382±0.06 g/cm3(Predicted)
Wasserlöslichkeit
almost transparency in Water
pka
1.1 · 1.10±0.50(Predicted)
Aggregatzustand
Liquid
Farbe
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 Datenbank
68399 · 68399-78-0(CAS DataBase Reference)
EPA chemische Informationen
1 · 1-Piperazinepropanesulfonic acid, .beta.-hydroxy-4-(2-hydroxyethyl)- (68399-78-0)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29335995
risk_code
25-36/37/38
hazard_code
T,Xi
safety_code
26-36-45-24/25

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1-Piperazinepropanesulfonic acid, .beta.-hydroxy-4-(2-hydroxyethyl)-: INACTIVE
Anwendungen · 2 Einträge

VerwendenHEPPSO is a zwitterionic buffer used in GMP-manufacturing of advanced therapy medication products.

VerwendenHEPPSO 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.

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Datenbank-Bezeichner

CAS
68399-78-0
PubChem CID
100205
DTXSID
DTXSID00887353
ChEBI
CHEBI:32951
EC Number
269-990-1
Nikkaji
J256.582J
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