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Substance Name: Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, 4-aminobenzoate (1:1)
RN: 69112-87-4
InChIKey: GKBFSMWFJMWBTI-UHFFFAOYSA-M

Molecular Formula

  • C27-H50-N.C7-H6-N-O2

Molecular Weight

  • 524.8284
 
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Names and Synonyms

Synonym

  • Stearyldimethylbenzylammonium p-aminobenzoate

Systematic Names

  • Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, 4-aminobenzoate (1:1)
  • Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, salt with 4-aminobenzoic acid (1:1)

Registry Numbers

CAS Registry Number

  • 69112-87-4

System Generated Number

  • 0069112874

Molecular Formulas

Molecular Formula

  • C27-H50-N.C7-H6-N-O2

Molecular Formula Fragments

  • C27-H50-N
  • C7-H6-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C27H50N.C7H7NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;8-6-3-1-5(2-4-6)7(9)10/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1-4H,8H2,(H,9,10)/q+1;/p-1

InChIKey

GKBFSMWFJMWBTI-UHFFFAOYSA-M

Smiles

CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.c1cc(ccc1C(=O)[O-])N