Cas no 102571-25-5 (1-Dodecanaminium,N-[3-[(4-aminobenzoyl)amino]propyl]-N,N-dimethyl-, bromide (1:1))

1-Dodecanaminium,N-[3-[(4-aminobenzoyl)amino]propyl]-N,N-dimethyl-, bromide (1:1) structure
102571-25-5 structure
Product Name:1-Dodecanaminium,N-[3-[(4-aminobenzoyl)amino]propyl]-N,N-dimethyl-, bromide (1:1)
CAS No:102571-25-5
MF:C24H44BrN3O
MW:470.52966594696
CID:164389
PubChem ID:59507
Update Time:2025-04-19

1-Dodecanaminium,N-[3-[(4-aminobenzoyl)amino]propyl]-N,N-dimethyl-, bromide (1:1) Chemical and Physical Properties

Names and Identifiers

    • 1-Dodecanaminium,N-[3-[(4-aminobenzoyl)amino]propyl]-N,N-dimethyl-, bromide (1:1)
    • 3-[(4-aminobenzoyl)amino]propyl-dodecyl-dimethyl-azanium bromide
    • 3-[(4-aminobenzoyl)amino]propyl-dodecyl-dimethylazanium,bromide
    • 3-(p-Aminobenzamido)propyl-dimethyl-dodecyl ammonium bromide
    • Ammonium, (3-(p-aminobenzamido)propyl)dimethyldodecyl-, bromide
    • Ammonium, dimethyldodecyl(3-(p-aminobenzamido)propyl)-, bromide
    • N-{3-[(4-aminobenzoyl)amino]propyl}-N,N-dimethyldodecan-1-aminium bromide
    • 102571-25-5
    • 3-[(4-aminobenzoyl)amino]propyl-dodecyl-dimethylazanium;bromide
    • Inchi: 1S/C24H43N3O.BrH/c1-4-5-6-7-8-9-10-11-12-13-20-27(2,3)21-14-19-26-24(28)22-15-17-23(25)18-16-22;/h15-18H,4-14,19-21H2,1-3H3,(H2-,25,26,28);1H
    • InChI Key: LCMNZUVKTRQDSF-UHFFFAOYSA-N
    • SMILES: [Br-].O=C(C1C=CC(=CC=1)N)NCCC[N+](C)(C)CCCCCCCCCCCC

Computed Properties

  • Exact Mass: 424.9225
  • Monoisotopic Mass: 469.266776
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 16
  • Complexity: 389
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 55.1

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 53.47
  • LogP: 3.36210
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