3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid

• ChemBase ID: 53591
• Molecular Formular: C9H20N2O4S
• Molecular Mass: 252.3311
• Monoisotopic Mass: 252.11437813
• SMILES: S(=O)(=O)(O)CCCN1CCN(CC1)CCO
• Canonical SMILES: OCCN1CCN(CC1)CCCS(=O)(=O)O
• InChI: InChI=1S/C9H20N2O4S/c12-8-7-11-5-3-10(4-6-11)2-1-9-16(13,14)15/h12H,1-9H2,(H,13,14,15)
• InChIKey: OWXMKDGYPWMGEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
• IUPAC Traditional name: EPPS
• Synonyms: N-(2-Hydroxyethyl)piperazine-N′-(3-propanesulfonic acid); 3-[4-(2-Hydroxyethyl)-1-piperazinyl]-1-propanesulfonic acid; 4-(2-Hydroxyethyl)piperazine-1-propanesulfonic acid; EPPS; N-(2-Hydroxyethyl)piperazine-N'-(3-propanesulfonic acid); HEPPS; 4-(2-Hydroxyethyl)-1-piperazinepropanesulfonic acid; 3-(4-(2-Hydroxyethyl)piperazin-1-yl)propane-1-sulfonic acid; N-2-Hydroxyethylpiperazine-N'-3-propanesulfonic acid; EPPS; HEPPS; 4-(2-羟乙基)-1-哌嗪丙磺酸; 4-羟乙基哌嗪丙磺酸; N-(2-羟乙基)哌嗪-N′-(3-丙磺酸); 4-(2-羟乙基)-1-哌嗪丙磺酸

Database IDs

• CAS Number: 16052-06-5
• EC Number: 240-198-8
• MDL Number: MFCD00006160
• Beilstein Number: 3957385
• PubChem SID: 24894443; 24894366; 24878781; 162058354; 24894698
• PubChem CID: 85255
• CHEBI ID: 42298
• Chemspider ID: 76886
• Wikipedia Title: HEPPS

CALCULATED PROPERTIES

• Acid pKa: -0.8282852
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -3.0518415
• LogD (pH = 7.4): -3.0968015
• Log P: -3.0526037
• Molar Refractivity: 61.8822 cm^3
• Polarizability: 24.954128 Å^3
• Polar Surface Area: 81.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 M at 20 °C, clear; H2O: soluble0.1 M at 20 °C, clear, colorless; H2O: soluble1 M at 20 °C, clear, colorless
• Melting Point: (dec.); 230°C (dec.); 237-239 °C; 237-239 °C(lit.); 242°C dec.
• Absorption Wavelength: A1M/260, H2O ≤0.1; A1M/280, H2O ≤0.1; λ: 260 nm Amax: 0.055; λ: 280 nm Amax: 0.045
• pKa: 8; 8.0
• pH: 5.0-6.5 (25 °C, 0.1 M in H2O); 5.0-7.0 (20 °C, 1 M in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: IRRITANT
• RTECS: TM2649130
• German water hazard class: 3
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (T); ≥99.0% (T); ≥99.5% (titration); 98%; 99%
• Grade: Biotechnology Performance Certified
• Suitability: cell culture tested
• Ignition Residue: ≤0.1%
• Impurities: ≤0.005% Phosphorus (P); ≤0.1% Insoluble matter; endotoxin and bioburden, tested; insoluble matter, passes filter test
• Cation Traces: Al: ≤0.0005%; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.002%; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; 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: ≤5 mg/kg; Mg: ≤0.0005%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤0.005%; Na: ≤50 mg/kg; NH4+: ≤0.1%; Ni: ≤5 mg/kg; Pb: ≤0.001%; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg
• Antion Traces: bromide (Br-): ≤0.1%; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• pH Range: 7.3 - 8.7
• λ: 0.1 M in H2O
• Useful pH Range: 7.3 - 8.7
• Product Line: BioUltra
• Empirical Formula (Hill Notation): C9H20N2O4S

DETAILS

MP Biomedicals - 02194547

Cell Culture Reagent
Crystalline
Useful pH range 7.3-8.7
This is the propane analog of HEPES.

MP Biomedicals - 02101927

Crystalline
Useful pH range 7.3-8.7
This is the propane analog of HEPES.

Sigma Aldrich - E9502

包装
1 kg in poly bottle
10, 25, 100, 250 g in poly bottle
5 kg in poly drum

Sigma Aldrich - 54465

Other Notes
As separator in ultrathin isoelectric focusing gels - enhances the resolution of phosphoglucomutase1

Sigma Aldrich - 163740

Application
Buffer useful in the physiological pH range.