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Substance Name: 1-Propanaminium, 2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-3-(octyloxy)-, methyl sulfate (1:1)
RN: 70776-69-1
InChIKey: CJULUAHYEXWWCU-UHFFFAOYSA-M

Molecular Formula

  • C16-H36-N-O4.C-H3-O4-S

Molecular Weight

  • 417.5601
 
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Names and Synonyms

Synonyms

  • 2-Hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-3-octyloxypropylammonium methyl sulfate
  • EINECS 274-875-4

Systematic Names

  • 1-Propanaminium, 2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-3-(octyloxy)-, methyl sulfate (1:1)
  • 1-Propanaminium, 2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-3-(octyloxy)-, methyl sulfate (salt)
  • Bis(2-hydroxyethyl)(2-hydroxy-3-(octyloxy)propyl)methylammonium methyl sulphate

Registry Numbers

CAS Registry Number

  • 70776-69-1

System Generated Number

  • 0070776691

Molecular Formulas

Molecular Formula

  • C16-H36-N-O4.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C16-H36-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H36NO4.CH4O4S/c1-3-4-5-6-7-8-13-21-15-16(20)14-17(2,9-11-18)10-12-19;1-5-6(2,3)4/h16,18-20H,3-15H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

CJULUAHYEXWWCU-UHFFFAOYSA-M

Smiles

CCCCCCCCOCC(C[N+](C)(CCO)CCO)O.COS(=O)(=O)[O-]