1-(2-hydroxyethyl)-4-(2-sulfonatoethyl)piperazin-1-ium

• ChemBase ID: 105808
• Molecular Formular: C8H18N2O4S
• Molecular Mass: 238.30452
• Monoisotopic Mass: 238.09872807
• SMILES: OCC[NH+]1CCN(CC1)CCS(=O)(=O)[O-]
• Canonical SMILES: OCC[NH+]1CCN(CC1)CCS(=O)(=O)[O-]
• InChI: InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
• InChIKey: JKMHFZQWWAIEOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-hydroxyethyl)-4-(2-sulfonatoethyl)piperazin-1-ium
• IUPAC Traditional name: 1-(2-hydroxyethyl)-4-(2-sulfonatoethyl)piperazin-1-ium
• Synonyms: N-2-Hydroxyethylpiperazine-N'-2-ethanesulfonic acid; HEPES FREE ACID

Database IDs

• CAS Number: 7365-45-9
• EC Number: 230-907-9
• PubChem SID: 162088984
• PubChem CID: 23830

CALCULATED PROPERTIES

• Acid pKa: -1.3356507
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.1127214
• LogD (pH = 7.4): -3.2495832
• Log P: -3.111727
• Molar Refractivity: 66.912 cm^3
• Polarizability: 22.968948 Å^3
• Polar Surface Area: 85.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 234°C

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• RTECS: TL6809000

Product Information

• Purity: ≥99%

DETAILS

MP Biomedicals - 02194827

(N-2-Hydroxyethylpiperazine-N'-2-ethanesulfonic acid) Molecular Biology Reagent Purity: 99+% Free Acid Zwitterionic Buffer useful in the pH range 6.8-8.2. pKa = 7.55 at 25°C

MP Biomedicals - 02194549

(N-2-Hydroxyethylpiperazine-N'-2-ethanesulfonic acid) Cell Culture Reagent Crystalline Free Acid Zwitterionic Buffer useful in the pH range 6.8-8.2. pKa=7.55 at 25°C