Product Name

  • Name

    3-[Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propane-1-sulfonate

  • EINECS 222-860-8
  • CAS No. 3637-26-1
  • Article Data8
  • CAS DataBase
  • Density 1.293-1.303g/cm3 at 22℃
  • Solubility 25mg/ml, H2O
  • Melting Point 150-155 °C(lit.)
  • Formula C11H21NO5S
  • Boiling Point
  • Molecular Weight 279.357
  • Flash Point >110°C
  • Transport Information
  • Appearance White Powder, Crystals or Crystalline Powder
  • Safety 37/39
  • Risk Codes 21/22
  • Molecular Structure Molecular Structure of 3637-26-1 (3-[Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propane-1-sulfonate)
  • Hazard Symbols HarmfulXn
  • 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;
  • PSA 91.88000
  • LogP 1.19820

Synthetic route

1,3-propanesultone
1120-71-4

1,3-propanesultone

2-(dimethylamino)ethyl methacrylate
2867-47-2

2-(dimethylamino)ethyl methacrylate

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
3637-26-1

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid

Conditions
ConditionsYield
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)
79-41-4

poly(methacrylic acid)

3-[(2-hydroxyethyl)dimethylammonio]propane-1-sulfonate
38880-58-9

3-[(2-hydroxyethyl)dimethylammonio]propane-1-sulfonate

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
3637-26-1

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid

Conditions
ConditionsYield
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
14814-09-6

3-Mercaptopropyltriethoxysilane

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
3637-26-1

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid

C20H43NO8S2Si

C20H43NO8S2Si

Conditions
ConditionsYield
With triethylamine In methanol; ethanol at 20℃; for 2h;50%
EDMA
97-90-5

EDMA

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
3637-26-1

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid

poly(N,N-dimethyl-N-methacryloyloxyethyl-N-(3-sulfopropyl)ammonium betaine-co-ethylene dimethacrylate)

poly(N,N-dimethyl-N-methacryloyloxyethyl-N-(3-sulfopropyl)ammonium betaine-co-ethylene dimethacrylate)

Conditions
ConditionsYield
With benzoin monomethyl ether In methanol Irradiation;
triethylene glycol dimethacrylate
1188-09-6

triethylene glycol dimethacrylate

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
3637-26-1

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid

poly(N,N-dimethyl-N-methacryloyloxyethyl-N-(3-sulfopropyl)ammonium betaine-co-triethylene glycol dimethacrylate)

poly(N,N-dimethyl-N-methacryloyloxyethyl-N-(3-sulfopropyl)ammonium betaine-co-triethylene glycol dimethacrylate)

Conditions
ConditionsYield
With benzoin monomethyl ether In methanol Irradiation;
3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
3637-26-1

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid

methacryloyloxy terminated Separon 300 HEMA polymer

methacryloyloxy terminated Separon 300 HEMA polymer

Separon 300 HEMA and (N-(3-sulfonatopropyl)-dimethylammonioethyloxy) terminated polymethylmethacrylate

Separon 300 HEMA and (N-(3-sulfonatopropyl)-dimethylammonioethyloxy) terminated polymethylmethacrylate

Conditions
ConditionsYield
With 2-hydroxyethanethiol In methanol; water UV-irradiation;
3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
3637-26-1

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid

polymer, prepared by atom transfer radical polymerization in i-PrOH/H2O; monomer(s): [2-(methacryloyloxy)ethyl]trimethylammonium chloride

polymer, prepared by atom transfer radical polymerization in i-PrOH/H2O; monomer(s): [2-(methacryloyloxy)ethyl]trimethylammonium chloride

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

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
ConditionsYield
In water; isopropyl alcohol at 20℃; for 18h;
N,N'-Methylenebisacrylamide
110-26-9

N,N'-Methylenebisacrylamide

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
3637-26-1

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid

polymer, low MWCO; monomer(s): 2-(N-3-sulfopropyl-N,N-dimethylammonium)ethyl methacrylate; N,N\-methylenebisacrylamide

polymer, low MWCO; monomer(s): 2-(N-3-sulfopropyl-N,N-dimethylammonium)ethyl methacrylate; N,N\-methylenebisacrylamide

Conditions
ConditionsYield
With phosphate buffer; AAPH (2,2′-azobis-(amidinopropane)dihydrochloride) In 2-methoxy-ethanol; water pH=6.9; UV-irradiation;
N,N'-Methylenebisacrylamide
110-26-9

N,N'-Methylenebisacrylamide

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
3637-26-1

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid

polymer, high MWCO; monomer(s): 2-(N-3-sulfopropyl-N,N-dimethylammonium)ethyl methacrylate; N,N\-methylenebisacrylamide

polymer, high MWCO; monomer(s): 2-(N-3-sulfopropyl-N,N-dimethylammonium)ethyl methacrylate; N,N\-methylenebisacrylamide

Conditions
ConditionsYield
With phosphate buffer; AAPH (2,2′-azobis-(amidinopropane)dihydrochloride) In 2-methoxy-ethanol; water pH=6.9; UV-irradiation;
EDMA
97-90-5

EDMA

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
3637-26-1

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

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
ConditionsYield
With 2,2'-azobis(isobutyronitrile) In methanol at 60℃; for 12h;
EDMA
97-90-5

EDMA

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
3637-26-1

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, 53 parts in feed; ethylene glycol dimethacrylate, 47 parts in feed

polymer; monomer(s): N,N-dimethyl-N-(2-methacryloyloxyethyl)-N-(3-sulfopropyl)ammonium betaine, 53 parts in feed; ethylene glycol dimethacrylate, 47 parts in feed

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile) In methanol at 60℃; for 12h;
EDMA
97-90-5

EDMA

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
3637-26-1

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, 33 parts in feed; ethylene glycol dimethacrylate, 67 parts in feed

polymer; monomer(s): N,N-dimethyl-N-(2-methacryloyloxyethyl)-N-(3-sulfopropyl)ammonium betaine, 33 parts in feed; ethylene glycol dimethacrylate, 67 parts in feed

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile) In methanol at 60℃; for 12h;
3-(trimethoxysilyl)-1-propanethiol
4420-74-0

3-(trimethoxysilyl)-1-propanethiol

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid
3637-26-1

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid

C17H37NO8S2Si

C17H37NO8S2Si

Conditions
ConditionsYield
With diisopropylamine In methanol at 20℃; for 16h;

3-[Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propane-1-sulfonate Specification

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

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