Cas no 155309-04-9 (1-Butanaminium,N,N,N-trimethyl-4-(1-methylethoxy)-4-oxo-2-[(1-oxohexadecyl)oxy]-)

1-Butanaminium,N,N,N-trimethyl-4-(1-methylethoxy)-4-oxo-2-[(1-oxohexadecyl)oxy]- structure
155309-04-9 structure
Product Name:1-Butanaminium,N,N,N-trimethyl-4-(1-methylethoxy)-4-oxo-2-[(1-oxohexadecyl)oxy]-
CAS No:155309-04-9
MF:C26H52NO4
MW:442.695388793945
CID:180800
PubChem ID:10343326
Update Time:2025-04-19

1-Butanaminium,N,N,N-trimethyl-4-(1-methylethoxy)-4-oxo-2-[(1-oxohexadecyl)oxy]- Chemical and Physical Properties

Names and Identifiers

    • 1-Butanaminium,N,N,N-trimethyl-4-(1-methylethoxy)-4-oxo-2-[(1-oxohexadecyl)oxy]-
    • (2-hexadecanoyloxy-4-oxo-4-propan-2-yloxybutyl)-trimethylazanium
    • 1-Butanaminium, N,N,N-trimethyl-4-(1-methylethoxy)-4-oxo-2-((1-oxohexadecyl)oxy)-
    • P1Pi Ester
    • Palmitoylcarnitine isopropyl ester
    • DTXSID80935184
    • 155309-04-9
    • 2-(Hexadecanoyloxy)-N,N,N-trimethyl-4-oxo-4-[(propan-2-yl)oxy]butan-1-aminium
    • Inchi： 1S/C26H52NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(28)31-24(22-27(4,5)6)21-26(29)30-23(2)3/h23-24H,7-22H2,1-6H3/q+1
    • InChI Key： KEGFTSGFVQNRIB-UHFFFAOYSA-N
    • SMILES： O(C(CCCCCCCCCCCCCCC)=O)C(CC(=O)OC(C)C)C[N+](C)(C)C

Computed Properties

  • Exact Mass: 442.38963414g/mol
  • Monoisotopic Mass: 442.38963414g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 22
  • Complexity: 457
  • 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: 8.2
  • Topological Polar Surface Area: 52.6?2

1-Butanaminium,N,N,N-trimethyl-4-(1-methylethoxy)-4-oxo-2-[(1-oxohexadecyl)oxy]- Related Literature

155309-04-9 (1-Butanaminium,N,N,N-trimethyl-4-(1-methylethoxy)-4-oxo-2-[(1-oxohexadecyl)oxy]-) Related Products

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