Cas no 647840-06-0 (Propanedinitrile, [(6-chloro-2-pyridinyl)methyl]ethyl-)

Propanedinitrile, [(6-chloro-2-pyridinyl)methyl]ethyl- structure
647840-06-0 structure
Product Name:Propanedinitrile, [(6-chloro-2-pyridinyl)methyl]ethyl-
CAS No:647840-06-0
MF:C11H10ClN3
MW:219.670200824738
CID:416828
PubChem ID:71378721
Update Time:2025-04-19

Propanedinitrile, [(6-chloro-2-pyridinyl)methyl]ethyl- Chemical and Physical Properties

Names and Identifiers

    • Propanedinitrile, [(6-chloro-2-pyridinyl)methyl]ethyl-
    • 2-[(6-chloropyridin-2-yl)methyl]-2-ethylpropanedinitrile
    • 647840-06-0
    • DTXSID30801325
    • [(6-Chloropyridin-2-yl)methyl](ethyl)propanedinitrile
    • Inchi： 1S/C11H10ClN3/c1-2-11(7-13,8-14)6-9-4-3-5-10(12)15-9/h3-5H,2,6H2,1H3
    • InChI Key： ROSCGMMWEXBKBM-UHFFFAOYSA-N
    • SMILES： ClC1=CC=CC(CC(C#N)(C#N)CC)=N1

Computed Properties

  • Exact Mass: 219.0565
  • Monoisotopic Mass: 219.0563250g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 292
  • 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: 2.5
  • Topological Polar Surface Area: 60.5?2

Experimental Properties

  • PSA: 60.47

Propanedinitrile, [(6-chloro-2-pyridinyl)methyl]ethyl- Related Literature

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