Product Name

  • Name

    2-ACRYLAMIDO-2-METHYL-1-PROPANESULFONIC ACID SODIUM SALT

  • EINECS 225-948-4
  • CAS No. 5165-97-9
  • Article Data3
  • CAS DataBase
  • Density 1.2055
  • Solubility
  • Melting Point
  • Formula C7H12NNaO4S
  • Boiling Point 110℃ at 101.325kPa
  • Molecular Weight 229.232
  • Flash Point
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 5165-97-9 (2-ACRYLAMIDO-2-METHYL-1-PROPANESULFONIC ACID SODIUM SALT)
  • Hazard Symbols
  • Synonyms 1-Propanesulfonicacid, 2-acrylamido-2-methyl-, sodium salt (7CI,8CI);1-Propanesulfonic acid,2-methyl-2-[(1-oxo-2-propenyl)amino]-, monosodium salt (9CI);2-Acrylamido-2-methylpropane-1-sulfonic acid sodium salt;2-Acrylamido-2-methylpropanesulfonic acid sodium salt;AMPS 2403;AMPS 2405;ATBS-NA;Acryloyldimethyltaurine sodium salt;LZ 2405;Lubrizol 2401;Lubrizol2403;Lubrizol 2405;Lubrizol 2405A;Sodium2-acrylamido-2-methyl-1-propanesulfonate;Sodium2-acrylamido-2-methylpropanesulfonate;Sodium2-methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonate;Sodium N-acryloyldimethyltaurate;Sodium acryloyldimethyltaurate;
  • PSA 94.68000
  • LogP 1.08410

Synthetic route

2-methyl-2-hydroxypropanesulfonic acid sodium salt

2-methyl-2-hydroxypropanesulfonic acid sodium salt

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

Conditions
ConditionsYield
87%
2-acrylamido-2-methylpropanesulfonic acid
15214-89-8

2-acrylamido-2-methylpropanesulfonic acid

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

Conditions
ConditionsYield
With sodium hydroxide In water at 30℃; for 2h; pH=> 1 - > 5;
2-propenamide
79-06-1

2-propenamide

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

sodium 2-acrylamido-2-methylpropanesulfonate, acrylamide; copolymer of

sodium 2-acrylamido-2-methylpropanesulfonate, acrylamide; copolymer of

Conditions
ConditionsYield
With sodium disulfite; potassium peroxomonosulphate In water at 50℃; for 2h; pH=9; Kinetics; Polymerization;91%
1-ethenyl-2-pyrrolidinone
88-12-0

1-ethenyl-2-pyrrolidinone

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

poly[(sodium 2-acrylamido-2-methylpropanesulfonate)-co-(N-vinylpyrrolidone)]; monomer(s): sodium 2-acrylamido-2-methylpropanesulfonate; N-vinylpyrrolidin-2-one

poly[(sodium 2-acrylamido-2-methylpropanesulfonate)-co-(N-vinylpyrrolidone)]; monomer(s): sodium 2-acrylamido-2-methylpropanesulfonate; N-vinylpyrrolidin-2-one

Conditions
ConditionsYield
With dipotassium peroxodisulfate In dimethyl sulfoxide at 50℃;90%
2-propenamide
79-06-1

2-propenamide

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

polymer, product of radical copolymerization; monomer(s): acrylamide; sodium 2-acrylamido-2-methylpropanesulfonate, 30 mol % in feed

polymer, product of radical copolymerization; monomer(s): acrylamide; sodium 2-acrylamido-2-methylpropanesulfonate, 30 mol % in feed

Conditions
ConditionsYield
With sodium hydroxide; potassium peroxomonosulphate In methanol; water at 60℃; pH=9;86%
2-propenamide
79-06-1

2-propenamide

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

polymer, product of radical copolymerization; monomer(s): acrylamide; sodium 2-acrylamido-2-methylpropanesulfonate, 40 mol % in feed

polymer, product of radical copolymerization; monomer(s): acrylamide; sodium 2-acrylamido-2-methylpropanesulfonate, 40 mol % in feed

Conditions
ConditionsYield
With sodium hydroxide; potassium peroxomonosulphate In methanol; water at 60℃; pH=9;85%
2-propenamide
79-06-1

2-propenamide

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

polymer; monomer(s): acrylamide; sodium 2-acrylamido-2-methylpropanesulfonate

polymer; monomer(s): acrylamide; sodium 2-acrylamido-2-methylpropanesulfonate

Conditions
ConditionsYield
With potassium peroxomonosulphate In ethanol; water at 60℃; for 1h;84%
2-propenamide
79-06-1

2-propenamide

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

polymer, product of radical copolymerization; monomer(s): acrylamide; sodium 2-acrylamido-2-methylpropanesulfonate, 70 mol % in feed

polymer, product of radical copolymerization; monomer(s): acrylamide; sodium 2-acrylamido-2-methylpropanesulfonate, 70 mol % in feed

Conditions
ConditionsYield
With sodium hydroxide; potassium peroxomonosulphate In methanol; water at 60℃; pH=9;74%
2-propenamide
79-06-1

2-propenamide

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

polymer, product of radical copolymerization; monomer(s): acrylamide; sodium 2-acrylamido-2-methylpropanesulfonate, 50 mol % in feed

polymer, product of radical copolymerization; monomer(s): acrylamide; sodium 2-acrylamido-2-methylpropanesulfonate, 50 mol % in feed

Conditions
ConditionsYield
With sodium hydroxide; potassium peroxomonosulphate In methanol; water at 60℃; pH=9;70%
1-methyl-pyrrolidin-2-one
872-50-4

1-methyl-pyrrolidin-2-one

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

polymer, product of homogeneous radical copolymerization; monomer(s): sodium 2-acryloylamino-2-methylpropane-1-sulfonate, mole fraction in initial monomer mixture 0.8; N-methylpyrrolidone

polymer, product of homogeneous radical copolymerization; monomer(s): sodium 2-acryloylamino-2-methylpropane-1-sulfonate, mole fraction in initial monomer mixture 0.8; N-methylpyrrolidone

Conditions
ConditionsYield
With potassium peroxomonosulphate In water for 1h; pH=9;60%
1-methyl-pyrrolidin-2-one
872-50-4

1-methyl-pyrrolidin-2-one

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

polymer, product of homogeneous radical copolymerization; monomer(s): sodium 2-acryloylamino-2-methylpropane-1-sulfonate, mole fraction in initial monomer mixture 0.9; N-methylpyrrolidone

polymer, product of homogeneous radical copolymerization; monomer(s): sodium 2-acryloylamino-2-methylpropane-1-sulfonate, mole fraction in initial monomer mixture 0.9; N-methylpyrrolidone

Conditions
ConditionsYield
With potassium peroxomonosulphate In ethanol; water for 1h; pH=9;59%
sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

poly(sodium 2-acrylamido-2-methylpropanesulfonate), radical polymerization

poly(sodium 2-acrylamido-2-methylpropanesulfonate), radical polymerization

Conditions
ConditionsYield
With sodium disulfite; potassium peroxomonosulphate; sorbitan monostearate In hexane; water at 60℃; for 1h; pH=9; Kinetics; Product distribution; Activation energy; Further Variations:; Reagents; Temperatures; Polymerization;54%
1-methyl-pyrrolidin-2-one
872-50-4

1-methyl-pyrrolidin-2-one

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

polymer, product of homogeneous radical copolymerization; monomer(s): sodium 2-acryloylamino-2-methylpropane-1-sulfonate, mole fraction in initial monomer mixture 0.7; N-methylpyrrolidone

polymer, product of homogeneous radical copolymerization; monomer(s): sodium 2-acryloylamino-2-methylpropane-1-sulfonate, mole fraction in initial monomer mixture 0.7; N-methylpyrrolidone

Conditions
ConditionsYield
With potassium peroxomonosulphate In water for 1h; pH=9;53%
1-methyl-pyrrolidin-2-one
872-50-4

1-methyl-pyrrolidin-2-one

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

polymer, product of homogeneous radical copolymerization; monomer(s): sodium 2-acryloylamino-2-methylpropane-1-sulfonate, mole fraction in initial monomer mixture 0.6; N-methylpyrrolidone

polymer, product of homogeneous radical copolymerization; monomer(s): sodium 2-acryloylamino-2-methylpropane-1-sulfonate, mole fraction in initial monomer mixture 0.6; N-methylpyrrolidone

Conditions
ConditionsYield
With potassium peroxomonosulphate In water for 1h; pH=9;52%
sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

5-(4-acryloylaminophenyl)-10,15,20-tri-p-tolylporphyrinate zinc(II)

5-(4-acryloylaminophenyl)-10,15,20-tri-p-tolylporphyrinate zinc(II)

polymer, monomers ratio 10:1; monomer(s): sodium 2-acryloylamino-2-methyl-propane-1-sulfonate; 5-(4-acryloylaminophenyl)-10,15,20-tri-p-tolylporphyrinate zinc(II)

polymer, monomers ratio 10:1; monomer(s): sodium 2-acryloylamino-2-methyl-propane-1-sulfonate; 5-(4-acryloylaminophenyl)-10,15,20-tri-p-tolylporphyrinate zinc(II)

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile) In tetrahydrofuran; methanol at 60℃;51%
5-(4-acryloylaminophenyl)-10,15,20-tri-p-tolylporphyrin

5-(4-acryloylaminophenyl)-10,15,20-tri-p-tolylporphyrin

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

polymer, monomers ratio 10:1; monomer(s): sodium 2-acryloylamino-2-methyl-propane-1-sulfonate; 5-(4-acryloylaminophenyl)-10,15,20-tri-p-tolylporphyrin

polymer, monomers ratio 10:1; monomer(s): sodium 2-acryloylamino-2-methyl-propane-1-sulfonate; 5-(4-acryloylaminophenyl)-10,15,20-tri-p-tolylporphyrin

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile) In tetrahydrofuran; methanol at 60℃; for 48h;46%
1-methyl-pyrrolidin-2-one
872-50-4

1-methyl-pyrrolidin-2-one

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

polymer, product of homogeneous radical copolymerization; monomer(s): sodium 2-acryloylamino-2-methylpropane-1-sulfonate, mole fraction in initial monomer mixture 0.5; N-methylpyrrolidone

polymer, product of homogeneous radical copolymerization; monomer(s): sodium 2-acryloylamino-2-methylpropane-1-sulfonate, mole fraction in initial monomer mixture 0.5; N-methylpyrrolidone

Conditions
ConditionsYield
With potassium peroxomonosulphate In water for 1h; pH=9;45%
With potassium peroxomonosulphate In ethanol; water at 60℃; for 1h; pH=9; Kinetics; Further Variations:; Solvents; Temperatures;
2-propenamide
79-06-1

2-propenamide

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

polymer, product of radical copolymerization; monomer(s): acrylamide; sodium 2-acrylamido-2-methylpropanesulfonate, 10 mol % in feed

polymer, product of radical copolymerization; monomer(s): acrylamide; sodium 2-acrylamido-2-methylpropanesulfonate, 10 mol % in feed

Conditions
ConditionsYield
With sodium hydroxide; potassium peroxomonosulphate In ethanol; water at 60℃; pH=9;45%
2-propenamide
79-06-1

2-propenamide

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

polymer, product of radical copolymerization; monomer(s): acrylamide; sodium 2-acrylamido-2-methylpropanesulfonate, 20 mol % in feed

polymer, product of radical copolymerization; monomer(s): acrylamide; sodium 2-acrylamido-2-methylpropanesulfonate, 20 mol % in feed

Conditions
ConditionsYield
With sodium hydroxide; potassium peroxomonosulphate In water; isopropyl alcohol at 60℃; pH=9;44%
1-methyl-pyrrolidin-2-one
872-50-4

1-methyl-pyrrolidin-2-one

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

polymer, product of homogeneous radical copolymerization; monomer(s): sodium 2-acryloylamino-2-methylpropane-1-sulfonate, mole fraction in initial monomer mixture 0.2; N-methylpyrrolidone

polymer, product of homogeneous radical copolymerization; monomer(s): sodium 2-acryloylamino-2-methylpropane-1-sulfonate, mole fraction in initial monomer mixture 0.2; N-methylpyrrolidone

Conditions
ConditionsYield
With potassium peroxomonosulphate In water for 1h; pH=9;37%
poly(methacrylic acid)
79-41-4

poly(methacrylic acid)

2-propenamide
79-06-1

2-propenamide

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

65AM/5MAA/30AMPS

65AM/5MAA/30AMPS

Conditions
ConditionsYield
Stage #1: poly(methacrylic acid); 2-propenamide; sodium 2-acrylamido-2-methylpropane-1-sulfonate With ammonium peroxydisulfate In water at 88℃;
Stage #2: With ammonium peroxydisulfate; sodium hydrogensulfite In water at 70℃; for 0.5h;
31.3%
Stage #1: poly(methacrylic acid); 2-propenamide; sodium 2-acrylamido-2-methylpropane-1-sulfonate With ammonium peroxydisulfate In water at 88℃;
Stage #2: With ammonium peroxydisulfate; sodium hydrogensulfite In water at 70℃; for 0.5h;
30.5%
Stage #1: poly(methacrylic acid); 2-propenamide; sodium 2-acrylamido-2-methylpropane-1-sulfonate With ammonium peroxydisulfate In water at 88℃;
Stage #2: With ammonium peroxydisulfate; sodium hydrogensulfite In water at 70℃; for 0.5h;
28.5%
2-propenamide
79-06-1

2-propenamide

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

20AM/80AMPS

20AM/80AMPS

Conditions
ConditionsYield
Stage #1: 2-propenamide; sodium 2-acrylamido-2-methylpropane-1-sulfonate With ammonium peroxydisulfate; copper dichloride In water at 40 - 65℃; for 2h;
Stage #2: for 1h;
30%
poly(methacrylic acid)
79-41-4

poly(methacrylic acid)

2-propenamide
79-06-1

2-propenamide

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

AMPS/AM

AMPS/AM

Conditions
ConditionsYield
Stage #1: poly(methacrylic acid); 2-propenamide; sodium 2-acrylamido-2-methylpropane-1-sulfonate With ammonium peroxydisulfate In water at 73℃; for 1.06667h;
Stage #2: With sodium hydrogensulfite In water at 73℃; for 1h;
29.29%
poly(methacrylic acid)
79-41-4

poly(methacrylic acid)

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

2-(dimethylamino)ethyl methacrylate

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

65 AM/30 AMPS/5 DMAEMA

65 AM/30 AMPS/5 DMAEMA

Conditions
ConditionsYield
Stage #1: poly(methacrylic acid); 2-(dimethylamino)ethyl methacrylate; sodium 2-acrylamido-2-methylpropane-1-sulfonate With ammonium peroxydisulfate In water at 88℃;
Stage #2: With ammonium peroxydisulfate; sodium hydrogensulfite In water at 70℃; for 0.5h;
27.8%
2-propenamide
79-06-1

2-propenamide

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

90AM/10AMPS

90AM/10AMPS

Conditions
ConditionsYield
Stage #1: 2-propenamide; sodium 2-acrylamido-2-methylpropane-1-sulfonate With ammonium peroxydisulfate; copper dichloride In water at 50 - 97℃;
Stage #2: With sodium hydrogensulfite In water for 1h;
27.8%
2-propenamide
79-06-1

2-propenamide

acrylic acid
79-10-7

acrylic acid

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

60AM/10AA/30AMPS

60AM/10AA/30AMPS

Conditions
ConditionsYield
Stage #1: 2-propenamide; acrylic acid; sodium 2-acrylamido-2-methylpropane-1-sulfonate With ammonium peroxydisulfate In water at 88℃; for 2h;
Stage #2: With sodium hydrogensulfite In water at 88℃; for 0.5h;
27.2%
poly(methacrylic acid)
79-41-4

poly(methacrylic acid)

2-propenamide
79-06-1

2-propenamide

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

60AM/30MAA/10AMPS

60AM/30MAA/10AMPS

Conditions
ConditionsYield
Stage #1: poly(methacrylic acid); 2-propenamide; sodium 2-acrylamido-2-methylpropane-1-sulfonate With ammonium peroxydisulfate In water at 88℃; for 3.08333h;
Stage #2: With sodium hydrogensulfite In water at 60℃; for 0.5h;
27.1%
2-propenamide
79-06-1

2-propenamide

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

60AM/40AMPS

60AM/40AMPS

Conditions
ConditionsYield
Stage #1: 2-propenamide; sodium 2-acrylamido-2-methylpropane-1-sulfonate With ammonium peroxydisulfate; copper dichloride In water at 50 - 92℃; for 0.916667h;
Stage #2: With sodium hydrogensulfite In water for 1h;
26.9%
Stage #1: 2-propenamide; sodium 2-acrylamido-2-methylpropane-1-sulfonate With ammonium peroxydisulfate; copper dichloride In water at 50 - 92℃;
Stage #2: With sodium hydrogensulfite In water at 63℃; for 0.666667 - 1h; Product distribution / selectivity;
14.5%
2-propenamide
79-06-1

2-propenamide

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

75AM/25AMPS

75AM/25AMPS

Conditions
ConditionsYield
Stage #1: 2-propenamide; sodium 2-acrylamido-2-methylpropane-1-sulfonate With ammonium peroxydisulfate; copper dichloride In water at 50 - 99℃; for 3h;
Stage #2: With sodium hydrogensulfite In water for 1h;
26.8%
poly(methacrylic acid)
79-41-4

poly(methacrylic acid)

ethyl acrylate
140-88-5

ethyl acrylate

sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

65 AM/30 AMPS/5 EA

65 AM/30 AMPS/5 EA

Conditions
ConditionsYield
Stage #1: poly(methacrylic acid); ethyl acrylate; sodium 2-acrylamido-2-methylpropane-1-sulfonate With ammonium peroxydisulfate In water at 88℃;
Stage #2: With ammonium peroxydisulfate; sodium hydrogensulfite; iron(II) sulfate In water at 88℃; for 0.25h;
26.3%
sodium 2-acrylamido-2-methylpropane-1-sulfonate
5165-97-9

sodium 2-acrylamido-2-methylpropane-1-sulfonate

Poly AMPS

Poly AMPS

Conditions
ConditionsYield
Stage #1: sodium 2-acrylamido-2-methylpropane-1-sulfonate With ammonium peroxydisulfate In water at 88℃;
Stage #2: With ammonium peroxydisulfate; sodium hydrogensulfite In water at 88℃; for 0.25h;
26.2%

2-Acrylamido-2-methyl-1-propanesulfonic acid sodium salt Specification

The 2-Acrylamido-2-methyl-1-propanesulfonic acid sodium salt with the CAS number 5165-97-9 is also called 1-Propanesulfonic acid,2-methyl-2-[(1-oxo-2-propen-1-yl)amino]-, sodium salt (1:1). The systematic name is sodium 2-(acryloylamino)-2-methylpropane-1-sulfonate. Its molecular formula is C7H12NNaO4S. The EINECS registry number is 225-948-4. This chemical belongs to the following product categories: (1)Acrylamide and Methacrylamide; (2)Acrylic Monomers; (3)Monomers.

The properties of the chemical are: (1)ACD/LogP: -1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.16; (4)ACD/LogD (pH 7.4): -5.28; (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: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 83.06 Å2.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact 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: [Na+].[O-]S(=O)(=O)CC(NC(=O)\C=C)(C)C
(2)InChI: InChI=1/C7H13NO4S.Na/c1-4-6(9)8-7(2,3)5-13(10,11)12;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);/q;+1/p-1
(3)InChIKey: FWFUWXVFYKCSQA-REWHXWOFAM

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