Cas no 111511-94-5 (1-methylpiperidine-4,4-dicarbonitrile)

1-methylpiperidine-4,4-dicarbonitrile structure
111511-94-5 structure
Product Name:1-methylpiperidine-4,4-dicarbonitrile
CAS No:111511-94-5
MF:C8H11N3
MW:149.193041086197
CID:2607034
PubChem ID:15057812
Update Time:2025-04-21

1-methylpiperidine-4,4-dicarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-methylpiperidine-4,4-dicarbonitrile
    • 111511-94-5
    • DTXSID30567656
    • SCHEMBL7960990
    • WVMUQALROVXUFE-UHFFFAOYSA-N
    • Inchi: 1S/C8H11N3/c1-11-4-2-8(6-9,7-10)3-5-11/h2-5H2,1H3
    • InChI Key: WVMUQALROVXUFE-UHFFFAOYSA-N
    • SMILES: N1(C)CCC(C#N)(C#N)CC1

Computed Properties

  • Exact Mass: 149.095297364Da
  • Monoisotopic Mass: 149.095297364Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 213
  • 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: 50.8?2
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