Product Name

  • Name

    2-[Bis(2-hydroxyethyl)ammonio]ethanesulfonate

  • EINECS 233-465-5
  • CAS No. 10191-18-1
  • Article Data11
  • CAS DataBase
  • Density 1.437 g/cm3
  • Solubility water: 1 M at 20 °C, clear, colorless
  • Melting Point 150-155 °C
  • Formula C6H15NO5S
  • Boiling Point
  • Molecular Weight 213.255
  • Flash Point
  • Transport Information
  • Appearance White/clear powder
  • Safety 26
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 10191-18-1 (2-[Bis(2-hydroxyethyl)ammonio]ethanesulfonate)
  • Hazard Symbols IrritantXi
  • Synonyms CHEBI:39045;2-[bis(2-hydroxyethyl)ammonio]ethanesulfonate
  • PSA 106.45000
  • LogP -0.75840

Synthetic route

2-[bis(2-hydroxyethyl)-amino]-ethanesulfonic acid 4-(tert-butyldiphenylsilanyloxy)-2,2-dimethylbutyl ester

2-[bis(2-hydroxyethyl)-amino]-ethanesulfonic acid 4-(tert-butyldiphenylsilanyloxy)-2,2-dimethylbutyl ester

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 48h;90%
sodium N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonate
66992-27-6

sodium N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonate

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

Conditions
ConditionsYield
With water80%
oxirane
75-21-8

oxirane

Tau
107-35-7

Tau

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

ethene-sulfonate d'isopropyle
3851-91-0

ethene-sulfonate d'isopropyle

2,2'-iminobis[ethanol]
111-42-2

2,2'-iminobis[ethanol]

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

Conditions
ConditionsYield
With methanol
sodium bromoethanesulphonate

sodium bromoethanesulphonate

ethanolamine
141-43-5

ethanolamine

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

Conditions
ConditionsYield
With hydrogenchloride In water
2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

sodium N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonate
66992-27-6

sodium N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonate

octadecyldimethyl[3-(trimethoxysilyl)propyl]ammonium chloride
27668-52-6

octadecyldimethyl[3-(trimethoxysilyl)propyl]ammonium chloride

disodium 2-[2-[3-[heptadecyl(dimethyl)ammonio]propyl-[2-[2-hydroxyethyl(2-sulfoethyl)amino]ethoxy]-[2-[2-hydroxyethyl(2-sulfonatoethyl)amino]ethoxy]silyl]oxyethyl-(2-hydroxyethyl)amino]ethanesulfonate chloride

disodium 2-[2-[3-[heptadecyl(dimethyl)ammonio]propyl-[2-[2-hydroxyethyl(2-sulfoethyl)amino]ethoxy]-[2-[2-hydroxyethyl(2-sulfonatoethyl)amino]ethoxy]silyl]oxyethyl-(2-hydroxyethyl)amino]ethanesulfonate chloride

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 145℃;94%
...Expand
2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

Hexacosa-10,12-diynoyl chloride
75495-25-9

Hexacosa-10,12-diynoyl chloride

2-ethanesulfonic acid
75495-22-6

2-ethanesulfonic acid

Conditions
ConditionsYield
With pyridine In chloroform Heating;91%
undec-10-enoyl chloride
38460-95-6

undec-10-enoyl chloride

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

bis<2-(10-undecenoyloxycarbonyl)ethyl>-2-sulfoethylamine
79898-74-1

bis<2-(10-undecenoyloxycarbonyl)ethyl>-2-sulfoethylamine

Conditions
ConditionsYield
With pyridine In chloroform Heating;85%
copper nitrate hemi(pentahydrate)

copper nitrate hemi(pentahydrate)

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

benzoic acid
65-85-0

benzoic acid

lithium hydroxide
1310-65-2

lithium hydroxide

[Li(H2O)4][Cu4(μ2-N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonic acid(2-))4(μ2-benzoate)]*2H2O

[Li(H2O)4][Cu4(μ2-N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonic acid(2-))4(μ2-benzoate)]*2H2O

Conditions
ConditionsYield
In water to q. soiln. Cu(NO3)2*2.5H2O N,N-bis(2-hydroxyethyl)-2-aminoethanesulfuric acid was added at room temp., soln. benzoic acid in aq. LiOH was added, stirred for 1 day; soln. was filtered off, filtrate was left to evaporate at room temp. for1-2 weeks, ppt. was collected and dried in air; elem. anal.;70%
...Expand
copper nitrate hemi(pentahydrate)

copper nitrate hemi(pentahydrate)

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

3-Carboxyphenol
99-06-9

3-Carboxyphenol

lithium hydroxide
1310-65-2

lithium hydroxide

[Cu4(μ2-N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonic acid(2-))4(μ2-3-hydroxybenzoate)(Li(H2O)2)]n*4H2O

[Cu4(μ2-N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonic acid(2-))4(μ2-3-hydroxybenzoate)(Li(H2O)2)]n*4H2O

Conditions
ConditionsYield
In water to q. soiln. Cu(NO3)2*2.5H2O N,N-bis(2-hydroxyethyl)-2-aminoethanesulfuric acid was added at room temp., soln. 3-hydroxybenzoic acid in aq. LiOHwas added, stirred for 1 day; soln. was filtered off, filtrate was left to evaporate at room temp. for1-2 weeks, ppt. was collected and dried in air; elem. anal.;70%
...Expand
copper nitrate hemi(pentahydrate)

copper nitrate hemi(pentahydrate)

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

3,5-Dihydroxybenzoic acid
99-10-5

3,5-Dihydroxybenzoic acid

lithium hydroxide
1310-65-2

lithium hydroxide

[Cu4(μ2-N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonic acid(2-))4(μ2-3,5-dihydroxybenzoate)(Li(H2O)2)]n*4H2O

[Cu4(μ2-N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonic acid(2-))4(μ2-3,5-dihydroxybenzoate)(Li(H2O)2)]n*4H2O

Conditions
ConditionsYield
In water to q. soiln. Cu(NO3)2*2.5H2O N,N-bis(2-hydroxyethyl)-2-aminoethanesulfuric acid was added at room temp., soln. 3,5-dihydroxybenzoic acid in aq. LiOH was added, stirred for 1 day; soln. was filtered off, filtrate was left to evaporate at room temp. for1-2 weeks, ppt. was collected and dried in air; elem. anal.;70%
...Expand
2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

hexadienoic acid mono 1H,1H,11H-eicosafluoroundecanoyl ester monoacid chloride
92844-73-0

hexadienoic acid mono 1H,1H,11H-eicosafluoroundecanoyl ester monoacid chloride

N,N-bis(((2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-eicosafluoroundecyl)-muconyl)ethyl)taurine
92844-71-8

N,N-bis(((2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-eicosafluoroundecyl)-muconyl)ethyl)taurine

Conditions
ConditionsYield
In chloroform for 72h; Heating;67%
2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

N,N-bis(2-chloroethyl)aminoethanesulfonic acid
98277-87-3

N,N-bis(2-chloroethyl)aminoethanesulfonic acid

Conditions
ConditionsYield
With thionyl chloride
2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

hexacosa-10,12-diynoic acid
73510-21-1

hexacosa-10,12-diynoic acid

2-ethanesulfonic acid
75495-22-6

2-ethanesulfonic acid

Conditions
ConditionsYield
With pyridine; Chloro-oxo-acetic acid 2) CHCl3, reflux; Yield given. Multistep reaction;
2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

(2E,4E)-Hexadeca-2,4-dienoyl chloride
111076-76-7

(2E,4E)-Hexadeca-2,4-dienoyl chloride

butadiene taurine
88589-82-6

butadiene taurine

Conditions
ConditionsYield
With dmap In dichloromethane 1.) room temperature, 65 h, 2.) reflux, 0.75 h;
vanadate

vanadate

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonic acid-vanadate complex

N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonic acid-vanadate complex

Conditions
ConditionsYield
In water aq. standard vanadate soln. (prepd. in situ) reacted with polydentate amine (molar ratio 1:10) at ambient temp. varying pH (buffers: imidazole pH 7, Tris pH 8, taurine pH 9) at ionic strength of 0.4 (KCl); equil. react.; vanadate-ligand complex not isolated; (51)V-NMR spect. anal.;
2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

water
7732-18-5

water

copper(II) nitrate

copper(II) nitrate

2-Methoxybenzoic acid
579-75-9

2-Methoxybenzoic acid

sodium hydroxide
1310-73-2

sodium hydroxide

[Cu4(N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonic acid(-2H))4(2-MeOC6H4COO)(Na(H2O)2)](n)*nH2O
1234672-93-5

[Cu4(N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonic acid(-2H))4(2-MeOC6H4COO)(Na(H2O)2)](n)*nH2O

Conditions
ConditionsYield
In water at room temp.;
...Expand
2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

water
7732-18-5

water

copper(II) nitrate

copper(II) nitrate

sodium hydroxide
1310-73-2

sodium hydroxide

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

[Cu4(N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonic acid(-2H))4(4-HOC6H4COO)(Na(H2O)4)](n)
1234672-89-9

[Cu4(N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonic acid(-2H))4(4-HOC6H4COO)(Na(H2O)4)](n)

Conditions
ConditionsYield
In water at room temp.;
...Expand
2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

copper(II) nitrate

copper(II) nitrate

benzoic acid
65-85-0

benzoic acid

sodium hydroxide
1310-73-2

sodium hydroxide

[Cu4(N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonic acid(-2H))4(benzoato)(Na)](n)
1234672-90-2

[Cu4(N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonic acid(-2H))4(benzoato)(Na)](n)

Conditions
ConditionsYield
In water at room temp.;
...Expand
2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

tetra(n-butyl)ammonium hydroxide
2052-49-5

tetra(n-butyl)ammonium hydroxide

tetrabutylammonium 2-(bis(2-hydroxyethyl)amino)ethanesulfonate
113599-12-5

tetrabutylammonium 2-(bis(2-hydroxyethyl)amino)ethanesulfonate

Conditions
ConditionsYield
In water at 20℃;
2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

tetra-n-butylphosphonium hydroxide
14518-69-5

tetra-n-butylphosphonium hydroxide

tetrabutylphosphonium 2-(bis(2-hydroxyethyl)amino)ethanesulfonate

tetrabutylphosphonium 2-(bis(2-hydroxyethyl)amino)ethanesulfonate

Conditions
ConditionsYield
In water at 20℃;
2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

cholin hydroxide
123-41-1

cholin hydroxide

cholinium 2-(bis(2-hydroxyethyl)amino)ethanesulfonate

cholinium 2-(bis(2-hydroxyethyl)amino)ethanesulfonate

Conditions
ConditionsYield
In water at 20℃;
nickel(II) nitrate hexahydrate

nickel(II) nitrate hexahydrate

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

water
7732-18-5

water

bis(N,N-di(2-hydroxyethyl)taurinato)nickel(II)*6H2O

bis(N,N-di(2-hydroxyethyl)taurinato)nickel(II)*6H2O

Conditions
ConditionsYield
at 20℃;
...Expand
cobalt(II) nitrate hexahydrate

cobalt(II) nitrate hexahydrate

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
10191-18-1

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

water
7732-18-5

water

bis(N,N-di(2-hydroxyethyl)taurinato)cobalt(II)

bis(N,N-di(2-hydroxyethyl)taurinato)cobalt(II)

Conditions
ConditionsYield
at 20℃;
...Expand

BES Specification

The Ethanesulfonic acid,2-[bis(2-hydroxyethyl)amino]-, with the CAS registry number 10191-18-1, is also known as N,N-Bis(2-hydroxyethyl)taurine. It belongs to the product categories of Pharmaceutical Intermediates; Biochemistry; Good's Buffers; Buffer. Its EINECS registry number is 233-465-5. This chemical's molecular formula is C6H15NO5S and molecular weight is 213.25. What's more, both its IUPAC name and systematic name are the same which is called 2-[Bis(2-hydroxyethyl)amino]ethanesulfonic acid. It should be stored in a cool, dry and well-ventilated place. This chemical can be used as biological buffer.

Physical properties about Ethanesulfonic acid,2-[bis(2-hydroxyethyl)amino]- are: (1)ACD/LogP: -2.833; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.33; (4)ACD/LogD (pH 7.4): -5.39; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 106.45 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 47.129 cm3; (15)Molar Volume: 148.38 cm3; (16)Polarizability: 18.683×10-24cm3; (17)Surface Tension: 70.48 dyne/cm; (18)Density: 1.437 g/cm3.

Uses of Ethanesulfonic acid,2-[bis(2-hydroxyethyl)amino]-: it is used to produce other chemicals. For example, it can react with undec-10-enoyl chloride to get bis[2-(10-undecenoyloxycarbonyl)ethyl]-2-sulfoethylamine. The reaction occurs with reagent pyridine solvent CHCl3 and other condition of heating. The yield is 85 %.

Ethanesulfonic acid,2-[bis(2-hydroxyethyl)amino]- can react with undec-10-enoyl chloride to get bis[2-(10-undecenoyloxycarbonyl)ethyl]-2-sulfoethylamine.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)CCN(CCO)CCO
(2) InChI: InChI=1S/C6H15NO5S/c8-4-1-7(2-5-9)3-6-13(10,11)12/h8-9H,1-6H2,(H,10,11,12)
(3) InChIKey: AJTVSSFTXWNIRG-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
quail LD50 oral > 316mg/kg (316mg/kg)   Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982.

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