2-(morpholin-4-yl)ethane-1-sulfonic acid hydrate

• ChemBase ID: 105859
• Molecular Formular: C6H15NO5S
• Molecular Mass: 213.252
• Monoisotopic Mass: 213.06709359
• SMILES: O.OS(=O)(=O)CCN1CCOCC1
• Canonical SMILES: OS(=O)(=O)CCN1CCOCC1.O
• InChI: InChI=1S/C6H13NO4S.H2O/c8-12(9,10)6-3-7-1-4-11-5-2-7;/h1-6H2,(H,8,9,10);1H2
• InChIKey: MIIIXQJBDGSIKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)ethane-1-sulfonic acid hydrate
• IUPAC Traditional name: mes (buffer) hydrate; MES hydrate
• Synonyms: MES hydrate; 2-(N-Morpholino)ethanesulfonic acid; 4-Morpholineethanesulfonic acid monohydrate; MES monohydrate; 2-(N-Morpholino)ethanesulfonic acid hydrate; 4-Morpholineethanesulfonic acid; 2-(4-Morpholinyl)ethanesulfonic acid monohydrate; 2-Morpholinoethanesulfonic acid hydrate; 2-[N-Morpholino]ethanesulfonic acid; MES MONOHYDRATE FREE ACID; 2-(N-吗啉基)乙磺酸 水合物; 4-吗啉乙磺酸; MES 水合物; 2-(N-吗啉基)乙磺酸; 4-吗啉乙磺酸 一水合物; MES 一水合物; 2-(N-吗啉)乙磺酸单水合物, 98%

Database IDs

• CAS Number: 145224-94-8; 4432-31-9(anhydrous); 4432-31-9
• EC Number: 224-632-3
• MDL Number: MFCD00149409
• Beilstein Number: 141319; 6350956
• Merck Index: 145902
• PubChem SID: 24885996; 24885994; 162087181; 24885995
• PubChem CID: 16218417

CALCULATED PROPERTIES

• Acid pKa: -1.5187938
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.5209346
• LogD (pH = 7.4): -3.1313899
• Log P: -2.4859738
• Molar Refractivity: 43.7489 cm^3
• Polarizability: 18.032785 Å^3
• Polar Surface Area: 66.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.5 M at 20 °C, clear; H2O: soluble0.5 M at 20 °C, clear, colorless; H2O: soluble0.5 M, clear, colorless
• Melting Point: >300 °C(lit.); >300°C; ca 308°C dec.
• Absorption Wavelength: A0.5M/260, H2O ≤0.025; A0.5M/280, H2O ≤0.020; λ: 260 nm Amax: 0.025; λ: 280 nm Amax: 0.020
• pKa: 6.1; 6.1 (25°C)
• pH: 2.5-4.0 (0.5 M in H2O); 2.5-4.0 (25 °C, 0.5 M in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: QE3479500
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98%; ≥99%; ≥99.0% (T); ≥99.5%; ≥99.5% (T); ≥99.5% (titration); 97%; 98%
• Grade: BioReagent; for molecular biology
• Suitability: suitable for cell culture
• Ignition Residue: ≤0.05%
• 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: ≤0.0005%; Al: ≤5 mg/kg; As: ≤0.0001%; As: ≤0.1 mg/kg; Ba: ≤0.0005%; Ba: ≤5 mg/kg; Bi: ≤0.0005%; Bi: ≤5 mg/kg; Ca: ≤0.002%; Ca: ≤20 mg/kg; Ca: ≤50 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; 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: ≤0.005%; Na: ≤50 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-): ≤0.005%; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Foreign Activity: DNase, RNase, protease, none detected
• pH Range: 5.5 - 6.7
• Quality Level: ELITE
• λ: 0.5 M in H2O
• Useful pH Range: 5.5 - 6.7
• Product Line: BioUltra; BioXtra
• Empirical Formula (Hill Notation): C6H13NO4S · H2O; C6H13NO4S · xH2O

DETAILS

MP Biomedicals - 02194835

Molecular Biology Reagent
Free Acid
Purity: >99%
Zwitterionic buffer
pKa = 6.15 at 25°C

MP Biomedicals - 02195309

Free Acid Monohydrate Crystalline One of the Zwitterionic buffers. pKa = 6.15 at 25°C Purity: >98%

Sigma Aldrich - M8250

Other Notes
便于将 MES 产品的规格与 MES 规格表进行比较。
包装
25, 50 kg in poly drum

Sigma Aldrich - M2933

Other Notes
便于将 MES 产品的规格与 MES 规格表进行比较。

Sigma Aldrich - M5287

Other Notes
便于将 MES 产品的规格与 MES 规格表进行比较。

Sigma Aldrich - 69890

Other Notes
Biological buffer; useful pH-range 5.8-6.51; Mobile phase component in brain tubulin isolation by amino-activated gel chromatography2; Buffer in plant tissue culture3,4.
Easily compare specifications for MES hydrate products with the MES hydrate specification table.

Sigma Aldrich - 163732

Application
A buffer useful in the physiological pH range.1,2

REFERENCES

• Good, N., et al., Biochemistry, 5: 467, (1966).
• Biological buffer, pKa = 6.15 at 20^o: Biochemistry, 5, 467 (1966).