Cocamidopropyl betaine - 30% aqueous solution , CAS No.86438-79-1

CAS: 86438-79-1 Cat. No.: C304790 Molecular Weight: 342.52 EC Number: 617-861-9

GRADE & PURITY 30% aqueous solution

Synonyms

CADG | Lebon 2000L | (carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide | Enagicol L 30B | (Carboxymethyl)dimethyl-3-((1-oxododecyl)amino)propylammonium hydroxide | 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-((1-oxododecyl)amin

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

CADG | Lebon 2000L | (carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide | Enagicol L 30B | (Carboxymethyl)dimethyl-3-((1-oxododecyl)amino)propylammonium hydroxide | 1-Propanaminium, N-(carboxymethyl)-N, N-dimethyl-3-((1-oxododecyl)amin

Specifications & Purity

30% aqueous solution

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Names and Identifiers

• Pubchem Sid: 504752973
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752973
• Canonical Smiles: CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]
• IUPAC Name: 2-[3-(dodecanoylamino)propyl-dimethylazaniumyl]acetate
• InChIKey: MRUAUOIMASANKQ-UHFFFAOYSA-N
• INCHI: 1S/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-14-18(22)20-15-13-16-21(2,3)17-19(23)24/h4-17H2,1-3H3,(H-,20,22,23,24)
• Isomeric SMILES: CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]
• Alternate CAS: 61789-40-0
• Molecular Weight: 342.52
• Reaxy-Rn: 7882426
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7882426&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: N-acyl amines Tetraalkylammonium salts Secondary carboxylic acid amides Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Fatty amide - N-acyl-amine - Fatty acyl - Quaternary ammonium salt - Tetraalkylammonium salt - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Methanol (Slightly), Water (Sparingly)
• Molecular Weight: 342.500 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 342.288 Da
• Monoisotopic Mass: 342.288 Da
• Topological Polar Surface Area: 69.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 338.000
• 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 Wu, Ling Wang, Wentao Xu, Zehai Xu, Guoliang Zhang.  (2023)  Preparation of a CAB−GO/PES Mixed Matrix Ultrafiltration Membrane and Its Antifouling Performance.  Membranes,  13  (2): (241).  [PMID:36837744] [10.3390/membranes13020241]

2. Chen Weihua, He Rui, Li Li, Bai Jiejing, Li Zhengyong, Wang Tao, Luo Le, Zhang Xinyu, Zhang Wei.  (2026)  Spontaneous imbibition and oil displacement experimental investigation in fracture–matrix cores of tight sandstone reservoirs.  Scientific Reports,      [PMID:] [10.1038/s41598-026-44044-z]