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| CAS No.: | 10191-18-1 |
|---|---|
| Name: | 2-[Bis(2-hydroxyethyl)ammonio]ethanesulfonate |
| Article Data: | 11 |
| Molecular Structure: | |
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|
|
| Formula: | C6H15NO5S |
| Molecular Weight: | 213.255 |
| Synonyms: | CHEBI:39045;2-[bis(2-hydroxyethyl)ammonio]ethanesulfonate |
| EINECS: | 233-465-5 |
| Density: | 1.437 g/cm3 |
| Melting Point: | 150-155 °C |
| Solubility: | water: 1 M at 20 °C, clear, colorless |
| Appearance: | White/clear powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 106.45000 |
| LogP: | -0.75840 |
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- 10191-18-1
2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With water | 80% |
- 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 | Yield |
|---|---|
| With methanol |
- 141-43-5
ethanolamine
- 10191-18-1
2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With pyridine In chloroform Heating; | 85% |
- 10191-18-1
2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
- 65-85-0
benzoic acid
- 1310-65-2
lithium hydroxide
| Conditions | Yield |
|---|---|
| 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% |
- 10191-18-1
2-(di(2-hydroxyethyl)amino)ethanesulfonic acid
- 99-06-9
3-Carboxyphenol
- 1310-65-2
lithium hydroxide
| Conditions | Yield |
|---|---|
| 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% |
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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.](/UserFilesUpload/Uses of Ethanesulfonic acid,2-[bis(2-hydroxyethyl)amino]-.png)
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. |