2-{[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}ethanesulfonate
Basic information
- CAS
7365-44-8- Standard SMILES
O=S(=O)([O-])CC[NH2+]C(CO)(CO)CO- InChIKey
JOCBASBOOFNAJA-UHFFFAOYSA-N- Molecular formula
- C6H15NO6S
- Average molar mass
- 229.25 g/mol
- Monoisotopic mass
- 229.06200837
Overview
N-tris(hydroxymethyl)methyl-2-ammonioethanesulfonate is the zwitterionic form of TES buffer. It is a tautomer of a N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid.
Names & identifiers
- Preferred name
- 2-{[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}ethanesulfonate
- IUPAC
- 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azaniumyl]ethanesulfonate
- English name
- N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic Acid
- Molecular formula
- C6H15NO6S
- Molecular weight
- 229.25
Names & synonyms
CHEBI:390362-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}ethanesulfonaten-tris(hydroxymethyl)methyl-2-aminoethanesulfonateN-tris(hydroxymethyl)methyl-2-ammonioethanesulfonate(N-tris(hydroxymethyl)methyl-2-ammonioethanesulfonate)TESTes BufferN-TRIS(HYDROXYMETHYL)METHYL-2-AMINOETHANESULFONIC ACIDTES,2-[(2-Hydroxy-1,1-bis(hydroxymethyl)ethyl)amino]ethanesulfonic acid, N-[Tris(hydroxymethyl)methyl]-2-aminoethanesulfonic acid, TES free acidTESSC05353TESS-2
Show more names
Tris TES8-Fluoro-1OmniPur TES
Database identifiers
- CAS
7365-44-8- PubChem CID
- 6992013
- ChEBI
CHEBI:39036
Properties
Computed structural properties
- XLogP
- -5.8
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 225 °C · ~225 °C (dec.)
- Density
- 1.26 · 1.260 (estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 2 O: · H2O: 1 M at 20 °C, clear, colorless
- form
- Crystalline Powder
- color
- White
- PH Range
- 6.8 · 6.8 - 8.2
- Odor
- Odorless
- PH
- 3.5 · 3.5-5.0 (25℃, 1M in H2O)
- pka
- 7.5 · 7.5(at 25℃)
- Water Solubility
- SOLUBLE
- λmax
- 260 nm · λ: 260 nm Amax: 0.055λ: 280 nm Amax: 0.045
- Merck
- 14 · 14,9176
- BRN
- 1957061 · 1957061
- InChI
- 1S/C6H15NO6S/c8-3-6(4-9,5-10)7-1-2-14(11,12)13/h7-10H,1-5H2,(H,11,12,13)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29221980
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
Chemistry & industry
Applications
UsesA structural analog to Tris buffer.
UsesN-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic Acid (TES) probably exists in solution as a zwitterion. Because the pKa is 7.4 (physiological pH) this buffer has considerable potential for a variety of biological applications. A buffer using TES free acid can be prepared by titrating the free acid (sc-206102) with sodium hydroxide to the desired pH, using about a half-equivalent of NaOH. Alternatively, solutions of equimolar TES free acid and TES sodium (sc-264384) can be mixed to attain a buffer of the desired pH. It has been shown to be toxic in vitro, but this toxicity may be due to its ability to form metal chelate complexes that are toxic for cells. TES is a commonly used biological buffering agent.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid is a Good's buffer substance, pKa = 7.5 at 20 ℃. It is a member of ethanolamines, an amino sulfonic acid and a TES. It is functionally related to a taurine. It is a tautomer of a N-tris(hydroxymethyl)methyl-2-ammonioethanesulfonate.
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