Cas no 80323-49-5 (Heptanediamide,2,6-bis(methylene)-)

Heptanediamide,2,6-bis(methylene)- structure
80323-49-5 structure
Product Name:Heptanediamide,2,6-bis(methylene)-
CAS No:80323-49-5
MF:C9H14N2O2
MW:182.219662189484
CID:731108
PubChem ID:261821
Update Time:2025-04-19

Heptanediamide,2,6-bis(methylene)- Chemical and Physical Properties

Names and Identifiers

    • Heptanediamide,2,6-bis(methylene)-
    • 2,6-dimethylideneheptanediamide
    • DTXSID10294150
    • SCHEMBL731106
    • NSC94788
    • 80323-49-5
    • NSC-94788
    • Inchi: 1S/C9H14N2O2/c1-6(8(10)12)4-3-5-7(2)9(11)13/h1-5H2,(H2,10,12)(H2,11,13)
    • InChI Key: SNZQLNZFVFZWMU-UHFFFAOYSA-N
    • SMILES: O=C(C(=C)CCCC(=C)C(N)=O)N

Computed Properties

  • Exact Mass: 182.105527694g/mol
  • Monoisotopic Mass: 182.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 6
  • Complexity: 230
  • 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
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