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CS-W001157 4
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2,4,4-Trimethyl-3-oxopentanenitrile

  • CAS No. 29509-04-4

  • Cat. No. CS-0259387
  • Purity≥95%
  • MDL No.None

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

2,4,4-Trimethyl-3-oxopentanenitrile|CS-0259387

Structure of 29509-04-4

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General Information

  • CAS No. 29509-04-4
  • Cat. No. CS-0259387
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₃NO
  • Molecular Weight 139.19
  • Synonym(s) 2,4,4-trimethyl-3-oxovaleronitrile
  • SMILES CC(C)(C)C(C(C)C#N)=O

Synthesis

  • Route1
    • null|null
      598-98-1
    • null|null
      107-12-0
    • ~53%
    • In-stock
      2,4,4-Trimethyl-3-oxopentanenitrile|CS-0259387
      29509-04-4

    References

    • Barhdadi, Rachid; Gal, Jacques; Heintz, Monique; Troupel, Michel Journal of the Chemical Society, Chemical Communications, 1992 , # 1 p. 50 - 51

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   1.76128
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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