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CAS No.: | 3637-26-1 |
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Name: | 3-[Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propane-1-sulfonate |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C11H21NO5S |
Molecular Weight: | 279.357 |
Synonyms: | (2-Hydroxyethyl)dimethyl(3-sulfopropyl)ammoniumhydroxide, inner salt, methacrylate (7CI);1-Propanaminium,N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl]-3-sulfo-, hydroxide,inner salt;1-Propanaminium,N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl]-3-sulfo-, inner salt(9CI);Ammonium, (2-hydroxyethyl)dimethyl(3-sulfopropyl)-, hydroxide, innersalt, methacrylate (8CI);3-[Dimethyl(methacryloyloxyethyl)ammonium]propanesulfonate;3-[N,N-Dimethyl-N-(methacryloyloxyethyl)ammonium]propanesulfonate;DMAPS;Dimethyl(2-methacryloyloxyethyl)(3-sulfopropyl)ammonium;Hartomer HB 6380;N,N-Dimethyl(methacryloyloxyethyl)ammonium propanesulfonate;N,N-Dimethyl-N-[2-(methacryloyloxy)ethyl]-N-(3-sulfopropyl)ammonium betaine;N,N-Dimethyl-N-methacryloyloxyethyl-N-(3-sulfopropyl)ammonium inner salt;N-(3-Sulfopropyl)-N-(methacryloyloxyethyl)-N,N-dimethylammonium betaine;N-[2-(Methacryloyloxy)ethyl]-N,N-dimethyl-N-(3-sulfopropyl)betaine;SPE;SPE(onium compound);[2-(Methacryloyloxy)ethyl]dimethyl(3-sulfopropyl)ammoniumhydroxide inner salt; |
EINECS: | 222-860-8 |
Density: | 1.293-1.303g/cm3 at 22℃ |
Melting Point: | 150-155 °C(lit.) |
Flash Point: | >110°C |
Solubility: | 25mg/ml, H2O |
Appearance: | White Powder, Crystals or Crystalline Powder |
Hazard Symbols: | Xn |
Risk Codes: | 21/22 |
Safety: | 37/39 |
PSA: | 91.88000 |
LogP: | 1.19820 |
1,3-propanesultone
2-(dimethylamino)ethyl methacrylate
3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
Conditions | Yield |
---|---|
In acetonitrile at 4 - 25℃; for 72h; | 98% |
With dinoseb In ethanol; isopropyl alcohol at 30 - 40℃; for 3h; Temperature; Time; | 95.79% |
In acetone at 20℃; for 14h; Inert atmosphere; | |
With hydroquinone In acetone at 60℃; for 10h; | |
In ethyl acetate |
poly(methacrylic acid)
3-[(2-hydroxyethyl)dimethylammonio]propane-1-sulfonate
3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
Conditions | Yield |
---|---|
Stage #1: poly(methacrylic acid); 3-[(2-hydroxyethyl)dimethylammonio]propane-1-sulfonate With hydroquinone at 70℃; for 0.5h; Inert atmosphere; Stage #2: With sulfuric acid at 70℃; for 48h; Inert atmosphere; | 62% |
3-Mercaptopropyltriethoxysilane
3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
Conditions | Yield |
---|---|
With triethylamine In methanol; ethanol at 20℃; for 2h; | 50% |
EDMA
3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
Conditions | Yield |
---|---|
With benzoin monomethyl ether In methanol Irradiation; |
triethylene glycol dimethacrylate
3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
Conditions | Yield |
---|---|
With benzoin monomethyl ether In methanol Irradiation; |
3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
Conditions | Yield |
---|---|
With 2-hydroxyethanethiol In methanol; water UV-irradiation; |
3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
polymer, diblock copolymer, Mn 13400, Mw/Mn 1.29 by GPC; monomer(s): [2-(methacryloyloxy)ethyl]trimethylammonium chloride; [2-(methacryloyloxy)ethyl]dimethyl(3-sulfopropyl)ammonium hydroxide
Conditions | Yield |
---|---|
In water; isopropyl alcohol at 20℃; for 18h; |
N,N'-Methylenebisacrylamide
3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
Conditions | Yield |
---|---|
With phosphate buffer; AAPH (2,2′-azobis-(amidinopropane)dihydrochloride) In 2-methoxy-ethanol; water pH=6.9; UV-irradiation; |
N,N'-Methylenebisacrylamide
3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
Conditions | Yield |
---|---|
With phosphate buffer; AAPH (2,2′-azobis-(amidinopropane)dihydrochloride) In 2-methoxy-ethanol; water pH=6.9; UV-irradiation; |
EDMA
3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
polymer; monomer(s): N,N-dimethyl-N-(2-methacryloyloxyethyl)-N-(3-sulfopropyl)ammonium betaine, 43 parts in feed; ethylene glycol dimethacrylate, 57 parts in feed
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile) In methanol at 60℃; for 12h; |
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The 3-[Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propane-1-sulfonate, with CAS registry number 3637-26-1, has the systematic name of 3-(dimethyl{2-[(2-methylacryloyl)oxy]ethyl}ammonio)propane-1-sulfonate. And its IUPAC name is the same one. And the chemical formula of this chemical is C11H21NO5S. What's more, its EINECS is 222-860-8.
Physical properties of 3-[Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propane-1-sulfonate: (1)ACD/LogP: -5.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.06; (4)ACD/LogD (pH 7.4): -5.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 89.05 Å2.
When you are using this chemical, please be cautious about it as the following:
The 3-[Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propane-1-sulfonate is harmful in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]S(=O)(=O)CCC[N+](C)(CCOC(=O)\C(=C)C)C
(2)InChI: InChI=1/C11H21NO5S/c1-10(2)11(13)17-8-7-12(3,4)6-5-9-18(14,15)16/h1,5-9H2,2-4H3
(3)InChIKey: BCAIDFOKQCVACE-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C11H21NO5S/c1-10(2)11(13)17-8-7-12(3,4)6-5-9-18(14,15)16/h1,5-9H2,2-4H3
(5)Std. InChIKey: BCAIDFOKQCVACE-UHFFFAOYSA-N