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7365-44-8 molecular structure
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2-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}ethane-1-sulfonic acid

ChemBase ID: 2112
Molecular Formular: C6H15NO6S
Molecular Mass: 229.2514
Monoisotopic Mass: 229.06200821
SMILES and InChIs

SMILES:
OCC(CO)(CO)NCCS(=O)(=O)O
Canonical SMILES:
OCC(NCCS(=O)(=O)O)(CO)CO
InChI:
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)
InChIKey:
JOCBASBOOFNAJA-UHFFFAOYSA-N

Cite this record

CBID:2112 http://www.chembase.cn/molecule-2112.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}ethane-1-sulfonic acid
IUPAC Traditional name
TES
tes (buffer)
Synonyms
2-([Tris(hydroxymethyl)methyl]amino)ethane-1-sulfonic acid
2-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Ethanesulfonic Acid
N-Tris-[hydroxymethyl]methyl-2-aminoethanesulfonic acid
TES FREE ACID
2-[(2-Hydroxy-1,1-bis(hydroxymethyl)ethyl)amino]ethanesulfonic acid
N-[Tris(hydroxymethyl)methyl]-2-aminoethanesulfonic acid
TES free acid
TES
N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid
3-[(羟甲基)甲基胺]乙烷磺酸
2-[[三(羟甲基)甲基]氨基]乙磺酸
N-三(羟甲基)甲基-2-氨基乙烷磺酸
TES 游离酸
Tris 乙磺酸
CAS Number
7365-44-8
EC Number
230-906-3
MDL Number
MFCD00007532
Beilstein Number
1957061
Merck Index
149176
PubChem SID
24899960
24900386
46506869
24889852
24900309
160965566
PubChem CID
81831

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa -1.526248  H Acceptors
H Donor LogD (pH = 5.5) -4.478894 
LogD (pH = 7.4) -4.557445  Log P -4.4777946 
Molar Refractivity 47.8164 cm3 Polarizability 20.069412 Å3
Polar Surface Area 127.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -2.33  LOG S -0.98 
Solubility (Water) 2.40e+01 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble1 M at 20 °C, clear, colorless expand Show data source
Melting Point
~225 °C (dec.) expand Show data source
ca 225°C dec. expand Show data source
Absorption Wavelength
λ: 260 nm Amax: 0.055 expand Show data source
λ: 280 nm Amax: 0.045 expand Show data source
pKa
7.5 (20°C) expand Show data source
7.5 (25°C) expand Show data source
pH
3.5-5.0 (20 °C, 1 M in H2O) expand Show data source
3.5-5.0 (25 °C, 1 M in H2O) expand Show data source
Storage Condition
Room Temperature (15-30°C), Desiccate expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99% expand Show data source
≥99% (titration) expand Show data source
≥99.0% (calc. based on dry substance, T) expand Show data source
≥99.5% (calc. based on dry substance, T) expand Show data source
≥99.5% (titration) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
Biotechnology Performance Certified expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Suitability
cell culture tested expand Show data source
Ignition Residue
≤0.1% (as SO4) expand Show data source
≤0.1% (as SO4) (900°C) expand Show data source
≤0.2% (as SO4) expand Show data source
Impurities
endotoxin and bioburden, tested expand Show data source
Insoluble matter, passes filter test expand Show data source
insoluble matter, passes filter test expand Show data source
Cation Traces
Al: ≤0.0005% expand Show data source
Al: ≤5 mg/kg expand Show data source
As: ≤0.0001% expand Show data source
As: ≤0.1 mg/kg expand Show data source
Ba: ≤0.0005% expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤0.0005% expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤0.001% expand Show data source
Ca: ≤10 mg/kg expand Show data source
Cd: ≤0.0005% expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤0.0005% expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤0.0005% expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤0.0005% expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤0.0005% expand Show data source
Fe: ≤5 mg/kg expand Show data source
heavy metals (as Pb): ≤5 ppm expand Show data source
K: ≤0.02% expand Show data source
K: ≤200 mg/kg expand Show data source
Li: ≤0.0005% expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤0.0005% expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤0.0005% expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤0.0005% expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤0.01% expand Show data source
Na: ≤100 mg/kg expand Show data source
Na: ≤200 mg/kg expand Show data source
Ni: ≤0.0005% expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤0.0005% expand Show data source
Pb: ≤5 mg/kg expand Show data source
Sr: ≤0.0005% expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤0.0005% expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤0.005% expand Show data source
chloride (Cl-): ≤2000 mg/kg expand Show data source
chloride (Cl-): ≤500 mg/kg expand Show data source
sulfate (SO42-): ≤0.005% expand Show data source
sulfate (SO42-): ≤50 mg/kg expand Show data source
Foreign Activity
DNase, RNase, protease, none detected expand Show data source
Loss on Drying
≤0.5% loss on drying, 110 °C expand Show data source
≤1% loss on drying, 110°C expand Show data source
λ
1 M in H2O expand Show data source
Useful pH Range
6.8 - 8.2 expand Show data source
7.0 - 8.0 expand Show data source
Product Line
BioUltra expand Show data source
BioXtra expand Show data source
abs.
A1M/260, H2O ≤0.055 expand Show data source
A1M/280, H2O ≤0.045 expand Show data source
Empirical Formula (Hill Notation)
C6H15NO6S expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02194555 external link
Cell Culture Reagent
Free Acid
Crystalline
pKa at 25°C = 7.5
Useful pH range 6.8-8.2
MP Biomedicals - 02194853 external link
Molecular Biology Reagent
Purity: >99%
Free Acid
pKa at 25°C = 7.5
Useful pH range 6.8-8.2
DrugBank - DB02371 external link
Drug information: experimental
Sigma Aldrich - 93359 external link
Other Notes
Hydrogen ion buffer for biological research1; Suitable buffer for epidermal cell growth at pH 7.4-7.9 where additional buffering capacity is required2
Sigma Aldrich - 93353 external link
Other Notes
Biological buffer1

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Biological buffer useful in pH range 7.0 - 8.0: Biochemistry, 5, 467 (1966).
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PATENTS

PATENTS

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INTERNET

INTERNET

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