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Substance Name: 1,3-Propanediaminium, N1,N3-diethyl-N1-(3-(ethyldimethylammonio)propyl)-N1-(2-hydroxyhexadecyl)-N3,N3-dimethyl-, ethyl sulfate (1:3)
RN: 103694-63-9
InChIKey: JZTVHFRSYIDPPG-UHFFFAOYSA-K

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C32-H72-N3-O.3C2-H5-O4-S

Molecular Weight

  • 890.311
 
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Names and Synonyms

  • 1,3-Propanediaminium, N,N'-diethyl-N-(3-(ethyldimethylammonio)propyl)-N-(2-hydroxyhexadecyl)-N',N'-dimethyl-, tris(ethyl sulfate) (salt)
  • 1,3-Propanediaminium, N1,N3-diethyl-N1-(3-(ethyldimethylammonio)propyl)-N1-(2-hydroxyhexadecyl)-N3,N3-dimethyl-, ethyl sulfate (1:3)

Registry Numbers

CAS Registry Number

  • 103694-63-9

System Generated Number

  • 0103694639

Molecular Formulas

Molecular Formula

  • C32-H72-N3-O.3C2-H5-O4-S

Molecular Formula Fragments

  • C2-H5-O4-S
  • C32-H72-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C32H72N3O.3C2H6O4S/c1-9-12-13-14-15-16-17-18-19-20-21-22-26-32(36)31-35(8,30-25-28-34(6,7)11-3)29-24-23-27-33(4,5)10-2;3*1-2-6-7(3,4)5/h32,36H,9-31H2,1-8H3;3*2H2,1H3,(H,3,4,5)/q+3;;;/p-3

InChIKey

JZTVHFRSYIDPPG-UHFFFAOYSA-K

Smiles

S([O-])(=O)(=O)OCC.S(=O)(=O)(OCC)[O-].S(=O)(=O)(OCC)[O-].C(CC[N+](CC)(C)C)C[N@@+](C)(C[C@@H](CCCCCCCCCCCCCC)O)CCC[N+](C)(C)CC