2-[4-(2-sulfoethyl)piperazin-1-yl]ethane-1-sulfonic acid

• ChemBase ID: 105449
• Molecular Formular: C8H18N2O6S2
• Molecular Mass: 302.36832
• Monoisotopic Mass: 302.06062831
• SMILES: OS(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)O
• InChI: InChI=1S/C8H18N2O6S2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16/h1-8H2,(H,11,12,13)(H,14,15,16)
• InChIKey: IHPYMWDTONKSCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-sulfoethyl)piperazin-1-yl]ethane-1-sulfonic acid
• IUPAC Traditional name: pipes
• Synonyms: 1,4-Piperazinediethanesulfonic acid; Piperazine-1,4-bis(2-ethanesulfonic acid); Piperazine-N,N′-bis(2-ethanesulfonic acid); 2,2'-(Piperazine-1,4-diyl)diethanesulfonic acid; Piperazine-1,4-bis(ethanesulfonic acid); Piperazine-1,4-bis(ethanesulfonic acid) monosodium salt; PIPES monosodium salt hydrate; Piperazine-N,N'-bis[2-ethanesulfonic acid]; PIPES FREE ACID; PIPES; PIPES; 哌嗪-1,4-双(2-乙基磺酸); 哌嗪-1,4-二乙磺酸单钠盐; 1,4-哌嗪二乙磺酸; 哌嗪-1,4-双(2-乙磺酸); 哌嗪-N,N′-双(2-乙磺酸)

Database IDs

• CAS Number: 5625-37-6; 10010-67-0
• EC Number: 227-057-6; 233-005-3
• MDL Number: MFCD00065472; MFCD00006159
• Beilstein Number: 817713
• Merck Index: 147479
• PubChem SID: 162093837; 24887572; 24898249; 24898793; 24898917
• PubChem CID: 79723

CALCULATED PROPERTIES

• Acid pKa: -1.7776884
• H Acceptors: 8
• H Donor: 2
• LogD (pH = 5.5): -5.7796354
• LogD (pH = 7.4): -6.0082097
• Log P: -4.8887243
• Molar Refractivity: 65.4108 cm^3
• Polarizability: 27.287737 Å^3
• Polar Surface Area: 115.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.1 M NaOH: soluble0.1 M at 20 °C, clear, colorless; 0.1 M NaOH: soluble0.25 g/mL, clear, colorless; 1 M NaOH: soluble0.5 M at 20 °C, clear, colorless
• Melting Point: > 300°C; >300 °C(lit.); >300°C
• Absorption Wavelength: A0.5M/260, 1 M NaOH ≤0.1; A0.5M/280, 1 M NaOH ≤0.1; λ: 260 nm Amax: 0.055; λ: 280 nm Amax: 0.040
• pKa: 6.8; 6.8 (20°C); 6.8 (25°C)

Safety Information

• Storage Condition: Room Temperature (15-30°C); Room Temperature (15-30°C), Desiccate
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99%; ≥99% (titration); ≥99.0% (calc. based on dry substance, T); ≥99.5% (T); 97%; 98%; 99%
• Grade: for molecular biology
• Suitability: suitable for cell culture
• Ignition Residue: ≤0.2% (as SO4); ≤0.5% (as SO4)
• Impurities: DNases, none detected; endotoxin and bioburden, tested; Insoluble matter, passes filter test; insoluble matter, passes filter test; phosphatases, none detected; proteases, none detected; RNases, none detected
• Cation Traces: Al: ≤0.005%; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤0.0005%; Ba: ≤5 mg/kg; Bi: ≤0.0005%; Bi: ≤5 mg/kg; Ca: ≤0.005%; Ca: ≤10 mg/kg; Cd: ≤0.0005%; Cd: ≤5 mg/kg; Co: ≤0.0005%; Co: ≤5 mg/kg; Cr: ≤0.0005%; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤5 mg/kg; Fe: ≤0.0005%; Fe: ≤5 mg/kg; heavy metals (as Pb): ≤5 ppm; K: ≤0.005%; K: ≤50 mg/kg; Li: ≤0.0005%; Li: ≤5 mg/kg; Mg: ≤0.0005%; Mg: ≤5 mg/kg; Mn: ≤0.0005%; Mn: ≤5 mg/kg; Mo: ≤0.0005%; Mo: ≤5 mg/kg; Na: ≤0.1%; Na: ≤100 mg/kg; Na: ≤1000 mg/kg; Ni: ≤0.0005%; Ni: ≤5 mg/kg; Pb: ≤0.0005%; Pb: ≤5 mg/kg; Sr: ≤0.0005%; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤0.2%; chloride (Cl-): ≤200 mg/kg; chloride (Cl-): ≤2000 mg/kg; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Foreign Activity: DNase, RNase, protease, none detected
• Loss on Drying: ≤0.2% loss on drying, 110 °C; ≤0.5% loss on drying, 110°C; ≤1% loss on drying, 110 °C
• pH Range: 6.1 - 7.5
• Quality Level: ELITE
• λ: 0.1 M in 1 M NaOH
• Useful pH Range: 6.1 - 7.5
• Operating pH Range: 6.4 - 7.2
• Product Line: BioUltra; BioXtra
• Empirical Formula (Hill Notation): C8H18N2O6S2

DETAILS

MP Biomedicals - 05225496

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02194838

Molecular Biology Reagent
Purity: >99%
Free Acid
pH Buffer range: 6.1 to 7.5
pKa at 37°C = 6.66

MP Biomedicals - 02194552

Cell Culture Reagent
Free Acid
Crystalline
Zwitterionic Buffer
Buffer range: 6.1 to 7.5
pKa at 37°C = 6.66

MP Biomedicals - 02190257

Free Acid
Crystalline
Zwitterionic Buffer
pH Buffer range: 6.1 to 7.5
pKa at 37°C = 6.66

Sigma Aldrich - 80635

Other Notes
Hybrid selection of mRNA - component of prehybridization buffer1

Sigma Aldrich - 80636

Other Notes
Biological buffer1; Useful where minimal complexing with divalent cations is required, ADP binding to relaxed scallop myofibrils2; Buffer of choice for the ultrastructural localization of uricase in peroxisomes of rat liver3; Induces the polymerization of purified tubulin4

REFERENCES

• Biological buffer, pKa = 6.8 at 20^o: Biochemistry, 5, 467 (1966).