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CS-W001157 4
Total: USD 88.00

4-Acetyl-4-(2-cyanoethyl)heptanedinitrile

  • CAS No. 126-50-1

  • Cat. No. CS-0585132
  • Molecule weight217.27
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

4-Acetyl-4-(2-cyanoethyl)heptanedinitrile|CS-0585132

Structure of 126-50-1

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General Information

  • CAS No. 126-50-1
  • Cat. No. CS-0585132
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅N₃O
  • Molecular Weight 217.27
  • Synonym(s) 3,3',3''-(2-Oxopropylidyne)trispropanenitrile
  • SMILES CC(=O)C(CCC#N)(CCC#N)CCC#N

Synthesis

  • Route1
    • null|null
      107-13-1
    • null|null
      67-64-1
    • ~%
    • 4-Acetyl-4-(2-cyanoethyl)heptanedinitrile|CS-0585132
      126-50-1

    References

    • Bayer Angewandte Chemie, 1949 , vol. 61, p. 234 Anm.131 Full Text Show Details Resinous Prod.and Chem.Co. Patent: US2386736 , 1941 ; Full Text Show Details Resinous Prod.and Chem.Co. Patent: US2329433 , 1941 ; Full Text Show Details Bruson; Riener Journal of the American Chemical Society, 1942 , vol. 64, p. 2857 Journal of the American Chemical Society, 1943 , vol. 65, p. 21 Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2386736 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2329433 , 1941 ;
  • Route2
    • null|null
      107-13-1
    • null|null
      67-64-1
    • null|null
      75-65-0
    • ~%
    • 4-Acetyl-4-(2-cyanoethyl)heptanedinitrile|CS-0585132
      126-50-1

    References

    • Resinous Prod. and Chem. Co. Patent: US2329433 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2311183 , 1942 ; Full Text Show Details Resinous Prod. and Chem. Co Patent: US2386736 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co Patent: US2394962 , 1943 ;
  • Route3

    References

    • Bayer Angewandte Chemie, 1949 , vol. 61, p. 234 Anm.131 Full Text Show Details Resinous Prod.and Chem.Co. Patent: US2386736 , 1941 ; Full Text Show Details Resinous Prod.and Chem.Co. Patent: US2329433 , 1941 ; Full Text Show Details Bruson; Riener Journal of the American Chemical Society, 1942 , vol. 64, p. 2857 Journal of the American Chemical Society, 1943 , vol. 65, p. 21 Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2386736 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2329433 , 1941 ;

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   88.44
  • LogP   2.47314
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   7

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