3-[[2-(Methacryloyloxy)ethyl]dimethylammonio]propionate - ≥98%(HPLC) , CAS No.24249-95-4

CAS: 24249-95-4 Cat. No.: M158410 Molecular Weight: 229.28

GRADE & PURITY ≥98%(HPLC)

Synonyms

BS-45751 | DTXSID201299321 | Ethanaminium, 2-carboxy-N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]-, inner salt | SY055432 | 3-((2-(Methacryloyloxy)ethyl)dimethylammonio)propanoate | 3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]pr

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

BS-45751 | DTXSID201299321 | Ethanaminium, 2-carboxy-N, N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]-, inner salt | SY055432 | 3-((2-(Methacryloyloxy)ethyl)dimethylammonio)propanoate | 3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]pr

Specifications & Purity

≥98%(HPLC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504771626
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771626
• Canonical Smiles: CC(=C)C(=O)OCC[N+](C)(C)CCC(=O)[O-]
• IUPAC Name: 3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propanoate
• InChIKey: CSWRCKVZMMKVDC-UHFFFAOYSA-N
• INCHI: 1S/C11H19NO4/c1-9(2)11(15)16-8-7-12(3,4)6-5-10(13)14/h1,5-8H2,2-4H3
• Isomeric SMILES: CC(=C)C(=O)OCC[N+](C)(C)CCC(=O)[O-]
• Molecular Weight: 229.28
• Reaxy-Rn: 4140161
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4140161&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts
        • Level5 Cholines
          • Level6 Acyl cholines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Cholines
• Direct Parent: Acyl cholines
• Alternative Parents: Dicarboxylic acids and derivatives Tetraalkylammonium salts Enoate esters Carboxylic acid salts Carboxylic acids Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl choline - Dicarboxylic acid or derivatives - Tetraalkylammonium salt - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Amine - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH.
• 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: heat sensitive；light sensitive；Moisture sensitive
• Melt Point(°C): 101 °C(dec.)
• Molecular Weight: 229.270 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 229.131 Da
• Monoisotopic Mass: 229.131 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 278.000
• 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. Wenjin Cai, Shihua Mao, Ying Wang, Bicong Gao, Jiaying Zhao, Yongzheng Li, Yani Chen, Dong Zhang, Jintao Yang, Guoli Yang.  (2024)  An Engineered Hierarchical Hydrogel with Immune Responsiveness and Targeted Mitochondrial Transfer to Augmented Bone Regeneration.  Advanced Science,      [PMID:39258577] [10.1002/advs.202406287]

2. Ying Yu, Yuan Cheng, Shiwei Xu, Wanyun Song, Mingming Wang, Liqiang Song, Kejia Zhu, Tao Zhang.  (2025)  Functionalized Interventional System for in Situ Hematologic Cell Capture.  ACS Applied Materials & Interfaces,      [PMID:40358010] [10.1021/acsami.5c03340]