Cas no 1976-27-8 (1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxooctadecyl)oxy]-, inner salt)

1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxooctadecyl)oxy]-, inner salt, is a zwitterionic surfactant characterized by its unique amphiphilic structure. The compound combines a quaternary ammonium group with a carboxylate moiety and a long hydrophobic chain, enabling excellent emulsifying and solubilizing properties. Its zwitterionic nature ensures compatibility with a wide pH range and high electrolyte tolerance, making it suitable for formulations requiring stability under harsh conditions. The molecule’s balanced hydrophilic-lipophilic properties enhance its utility in personal care, detergents, and industrial applications where mildness and performance are critical. Its structure also contributes to low irritation potential, making it ideal for sensitive formulations.
1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxooctadecyl)oxy]-, inner salt structure
1976-27-8 structure
Product Name:1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxooctadecyl)oxy]-, inner salt
CAS No:1976-27-8
MF:C25H49NO4
MW:427.660868406296
CID:118254
PubChem ID:6426855
Update Time:2025-06-07

1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxooctadecyl)oxy]-, inner salt Chemical and Physical Properties

Names and Identifiers

    • 1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxooctadecyl)oxy]-, inner salt
    • 3-octadecanoyloxy-4-(trimethylazaniumyl)butanoate
    • 3-octadecanoyloxy-4-trimethylazaniumylbutanoate
    • O-octadecanoyl-L-carnitine
    • Stearoyl Carnitine
    • Acylcarnitine C18:0
    • L-Stearoylcarnitine
    • octadecanoylcarnitine
    • O-octadecanoylcarnitine
    • Stearoyl-L-carnitine
    • 3-(octadecanoyloxy)-4-(trimethylazaniumyl)butanoate
    • FNPHNLNTJNMAEE-UHFFFAOYSA-N
    • O-stearoylcarnitine
    • 3-(Stearoyloxy)-4-(trimethylammonio)butanoate
    • O-Octadecanoyl-DL-carnitine
    • 3-(octadecanoyloxy)-4-(trimethylammonio)butanoate
    • FT-0674651
    • DTXSID70423787
    • 1976-27-8
    • CHEBI:73074
    • CHEMBL3392056
    • starbld0004351
    • LMFA07070051
    • 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxooctadecyl)oxy]-, inner salt
    • SCHEMBL188358
    • 3-stearoyloxy-4-(trimethylammonio)butyrate
    • AC(18:0)
    • Q27140281
    • Inchi： 1S/C25H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h23H,5-22H2,1-4H3
    • InChI Key： FNPHNLNTJNMAEE-UHFFFAOYSA-N
    • SMILES： O(C(CCCCCCCCCCCCCCCCC)=O)C(CC(=O)[O-])C[N+](C)(C)C

Computed Properties

  • Exact Mass: 427.36600
  • Monoisotopic Mass: 427.36615904g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 21
  • Complexity: 426
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.8
  • Topological Polar Surface Area: 66.4?2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 66.43000
  • LogP: 5.00590

1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxooctadecyl)oxy]-, inner salt Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
A2B Chem LLC
AB07276-250mg
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxooctadecyl)oxy]-, inner salt
 1976-27-8
250mg
 $539.00 2024-04-20

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