Cas no 3891-73-4 (Octanediamide)

Octanediamide structure
Octanediamide structure
Product Name:Octanediamide
CAS No:3891-73-4
MF:C8H16N2O2
MW:172.224842071533
CID:311407
PubChem ID:258342
Update Time:2025-04-19

Octanediamide Chemical and Physical Properties

Names and Identifiers

    • Octanediamide
    • 1,6-hexanedicarboxamide
    • AC1L5YQY
    • AC1Q5J90
    • AG-K-85241
    • AR-1L5703
    • CTK1C3899
    • Hexan-dicarbonsaeure-(1,6)-diamid
    • NSC87158
    • Octandiamid
    • Suberamide
    • Suberinsaeure-amid
    • Suberinsaeure-diamid
    • SCHEMBL636464
    • 3891-73-4
    • NSC-87158
    • DTXSID70293088
    • Inchi： 1S/C8H16N2O2/c9-7(11)5-3-1-2-4-6-8(10)12/h1-6H2,(H2,9,11)(H2,10,12)
    • InChI Key： NFVUAUVSFDFOJT-UHFFFAOYSA-N
    • SMILES： O=C(CCCCCCC(N)=O)N

Computed Properties

  • Exact Mass: 172.12128
  • Monoisotopic Mass: 172.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 139
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.3
  • Topological Polar Surface Area: 86.2?2

Experimental Properties

  • Density: 1.061
  • Boiling Point: 467.2°Cat760mmHg
  • Flash Point: 236.4°C
  • Refractive Index: 1.482
  • PSA: 86.18

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