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10191-18-1

Basic Information
CAS No.: 10191-18-1
Name: Ethanesulfonic acid,2-[bis(2-hydroxyethyl)amino]-
Molecular Structure:
Molecular Structure of 10191-18-1 (Ethanesulfonic acid,2-[bis(2-hydroxyethyl)amino]-)
Formula: C6H15NO5S
Molecular Weight: 213.25
Synonyms: Taurine,N,N-bis(2-hydroxyethyl)- (8CI);N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid;N,N-Bis(2-hydroxyethyl)-2-aminoethanesulphonic acid;N,N-Bis(2-hydroxyethyl)taurine;
EINECS: 233-465-5
Density: 1.437 g/cm3
Melting Point: 150-155 °C
Boiling Point:
Flash Point:
Solubility: water: 1 M at 20 °C, clear, colorless
Appearance: White/clear powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26
Transport Information:
PSA: 106.45000
LogP: -0.75840
Synthetic route

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

10191-18-1

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

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 48h;90%
66992-27-6

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

10191-18-1

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

Conditions
ConditionsYield
With water80%
75-21-8

oxirane

10191-18-1

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

3851-91-0

ethene-sulfonate d'isopropyle

111-42-2

2,2'-iminobis[ethanol]

10191-18-1

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

Conditions
ConditionsYield
With methanol

sodium bromoethanesulphonate

141-43-5

ethanolamine

10191-18-1

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

Conditions
ConditionsYield
With hydrogenchloride In water
10191-18-1

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

66992-27-6

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

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

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 145℃;94%
10191-18-1

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

75495-25-9

Hexacosa-10,12-diynoyl chloride

75495-22-6

2-ethanesulfonic acid

Conditions
ConditionsYield
With pyridine In chloroform Heating;91%
38460-95-6

undec-10-enoyl chloride

10191-18-1

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

79898-74-1

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

Conditions
ConditionsYield
With pyridine In chloroform Heating;85%

copper nitrate hemi(pentahydrate)

10191-18-1

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

65-85-0

benzoic acid

1310-65-2

lithium hydroxide

[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%

copper nitrate hemi(pentahydrate)

10191-18-1

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

99-06-9

3-Carboxyphenol

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

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%

copper nitrate hemi(pentahydrate)

10191-18-1

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

99-10-5

3,5-Dihydroxybenzoic acid

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

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%
10191-18-1

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

92844-73-0

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

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%
10191-18-1

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

98277-87-3

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

Conditions
ConditionsYield
With thionyl chloride
10191-18-1

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

73510-21-1

hexacosa-10,12-diynoic acid

75495-22-6

2-ethanesulfonic acid

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

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

111076-76-7

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

88589-82-6

butadiene taurine

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

vanadate

10191-18-1

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

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.;
10191-18-1

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

copper(II) nitrate

579-75-9

2-Methoxybenzoic acid

1310-73-2

sodium hydroxide

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.;
10191-18-1

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

copper(II) nitrate

1310-73-2

sodium hydroxide

99-96-7

4-hydroxy-benzoic acid

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.;
10191-18-1

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

copper(II) nitrate

65-85-0

benzoic acid

1310-73-2

sodium hydroxide

1234672-90-2

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

Conditions
ConditionsYield
In water at room temp.;
10191-18-1

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

2052-49-5

tetra(n-butyl)ammonium hydroxide

113599-12-5

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

Conditions
ConditionsYield
In water at 20℃;
10191-18-1

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

14518-69-5

tetra-n-butylphosphonium hydroxide

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

Conditions
ConditionsYield
In water at 20℃;
10191-18-1

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

123-41-1

cholin hydroxide

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

Conditions
ConditionsYield
In water at 20℃;

nickel(II) nitrate hexahydrate

10191-18-1

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

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

Conditions
ConditionsYield
at 20℃;

cobalt(II) nitrate hexahydrate

10191-18-1

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

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

Conditions
ConditionsYield
at 20℃;
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  • 2-[bis(2-hydroxyethyl)amino]ethanesulfonic Acid

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    2-[bis(2-hydroxyethyl)amino]ethanesulfonic Acid

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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.