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Substance Name: Octadecanamide, N-(2-((3-amino-3-oxopropyl)(2-(bis(3-amino-3-oxopropyl)amino)ethyl)amino)ethyl)-, acetate (1:1)
RN: 68214-48-2
InChIKey: VFFMBHXEAASUMC-UHFFFAOYSA-N

Molecular Formula

  • C31-H62-N6-O4.C2-H4-O2

Molecular Weight

  • 642.92
 
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Names and Synonyms

Synonym

  • EINECS 269-294-8

Systematic Names

  • N-(2-((3-Amino-3-oxopropyl)(2-(bis(3-amino-3-oxopropyl)amino)ethyl)amino)ethyl)stearamide monoacetate
  • Octadecanamide, N-(2-((3-amino-3-oxopropyl)(2-(bis(3-amino-3-oxopropyl)amino)ethyl)amino)ethyl)-, acetate (1:1)
  • Octadecanamide, N-(2-((3-amino-3-oxopropyl)(2-(bis(3-amino-3-oxopropyl)amino)ethyl)amino)ethyl)-, monoacetate

Registry Numbers

CAS Registry Number

  • 68214-48-2

System Generated Number

  • 0068214482

Molecular Formulas

Molecular Formula

  • C31-H62-N6-O4.C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C31-H62-N6-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C31H62N6O4.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31(41)35-21-25-37(24-20-30(34)40)27-26-36(22-18-28(32)38)23-19-29(33)39;1-2(3)4/h2-27H2,1H3,(H2,32,38)(H2,33,39)(H2,34,40)(H,35,41);1H3,(H,3,4)

InChIKey

VFFMBHXEAASUMC-UHFFFAOYSA-N

Smiles

C(=O)(N)CCN(CCC(N)=O)CC[N@@](CCC(N)=O)CCNC(=O)CCCCCCCCCCCCCCCCC.CC(O)=O