sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethane-1-sulfonate

• ChemBase ID: 105809
• Molecular Formular: C8H17N2NaO4S
• Molecular Mass: 260.28635
• Monoisotopic Mass: 260.08067232
• SMILES: OCCN1CCN(CC1)CCS(=O)(=O)O[Na]
• Canonical SMILES: OCCN1CCN(CC1)CCS(=O)(=O)O[Na]
• InChI: InChI=1S/C8H18N2O4S.Na/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;/h11H,1-8H2,(H,12,13,14);/q;+1/p-1
• InChIKey: RDZTWEVXRGYCFV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethane-1-sulfonate
• IUPAC Traditional name: sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate
• Synonyms: 4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid sodium salt; N-(2-Hydroxyethyl)piperazine-N'-(2-ethanesulfonic acid) sodium salt; HEPES SODIUM SALT

Database IDs

• CAS Number: 75277-39-3
• EC Number: 278-169-7
• PubChem SID: 162092612
• PubChem CID: 2724248

CALCULATED PROPERTIES

• Acid pKa: 15.593098
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.0064619
• LogD (pH = 7.4): -1.3749824
• Log P: -1.0374
• Molar Refractivity: 55.8024 cm^3
• Polarizability: 25.032272 Å^3
• Polar Surface Area: 70.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39

Product Information

• Purity: ≥99%; ~99%

DETAILS

MP Biomedicals - 02194550

Cell Culture Reagent
Sodium Salt
Purity: ~99%
pKa=7.55 at 25°C

MP Biomedicals - 02194828

Molecular Biology Reagent Purity: 99+% Sodium Salt pKa = 7.55 at 25°C