[3-(Methacryloylamino)propyl]dimethyl(3-sulfopropyl)ammonium hydroxide inner salt - ≥98% , CAS No.5205-95-8

CAS: 5205-95-8 Cat. No.: M303877 Molecular Weight: 292.39 EC Number: 226-003-9

GRADE & PURITY ≥98%

Synonyms

3-[(3-Methacrylamidopropyl)dimethylammonio]propane-1-sulfonate | 3-[[3-(Methacryloylamino)propyl](dimethyl)ammonio]-1-propanesulfonate

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

3-[(3-Methacrylamidopropyl)dimethylammonio]propane-1-sulfonate | 3-[[3-(Methacryloylamino)propyl](dimethyl)ammonio]-1-propanesulfonate

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755323
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755323
• Canonical Smiles: CC(=C)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-]
• IUPAC Name: 3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate
• InChIKey: OIETYYKGJGVJFT-UHFFFAOYSA-N
• INCHI: 1S/C12H24N2O4S/c1-11(2)12(15)13-7-5-8-14(3,4)9-6-10-19(16,17)18/h1,5-10H2,2-4H3,(H-,13,15,16,17,18)
• Isomeric SMILES: CC(=C)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-]
• Molecular Weight: 292.39
• Reaxy-Rn: 3978508
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3978508&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Tetraalkylammonium salts Sulfonyls Alkanesulfonic acids Secondary carboxylic acid amides Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Quaternary ammonium salt - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Tetraalkylammonium salt - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Hydrocarbon derivative - Organic salt - Carbonyl group - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Air Sensitive,Hygroscopic,Heat Sensitive
• Melt Point(°C): 256 °C(dec.)
• Molecular Weight: 292.400 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 292.146 Da
• Monoisotopic Mass: 292.146 Da
• Topological Polar Surface Area: 94.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 397.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Haiyan Yin, Min You, Xinlei Shi, Hui Yu, Qiang Chen.  (2024)  New insights into pure zwitterionic hydrogels with high strength and high toughness.  Materials Horizons,      [PMID:38874530] [10.1039/D4MH00164H]

2. Wei Cao, Lifang Lin, Herfried Lammer, Haoran Zhai, Dhandapani Kuzhandaivel, Xianmei Huang, Xuan Zhou, Zixiang Weng, Lixin Wu.  (2025)  Ultra-Tough, High-Strength Ionogels Enabling DLP 3D Printing for Wearable Flexible Electronics.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c02172]