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Substance Name: beta-Alanine, N-(2-carboxyethyl)-N-(3-(octyloxy)propyl)-, sodium salt (1:1)
RN: 64972-18-5
InChIKey: ZPJJVFJYFYBWMI-UHFFFAOYSA-M

Molecular Formula

  • C17-H33-N-O5.Na

Molecular Weight

  • 353.432
 
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Names and Synonyms

Synonym

  • Octyloxypropyl-3-iminodipropionic acid, monosodium salt

Systematic Names

  • beta-Alanine, N-(2-carboxyethyl)-N-(3-(octyloxy)propyl)-, monosodium salt
  • beta-Alanine, N-(2-carboxyethyl)-N-(3-(octyloxy)propyl)-, sodium salt (1:1)

Registry Numbers

CAS Registry Number

  • 64972-18-5

System Generated Number

  • 0064972185

Molecular Formulas

Molecular Formula

  • C17-H33-N-O5.Na

Molecular Formula Fragments

  • C17-H33-N-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C17H33NO5.Na/c1-2-3-4-5-6-7-14-23-15-8-11-18(12-9-16(19)20)13-10-17(21)22;/h2-15H2,1H3,(H,19,20)(H,21,22);/q;+1/p-1

InChIKey

ZPJJVFJYFYBWMI-UHFFFAOYSA-M

Smiles

C(=O)(CC[N@@](CCC(=O)O)CCCOCCCCCCCC)[O-].[Na+]