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CS-W001157 4
Total: USD 88.00

DCAF

  • CAS No. 40114-84-9

  • Cat. No. CS-B0349
  • Purity≥98%
  • MDL No.MFCD03042397

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

DCAF|CS-B0349

Structure of 40114-84-9

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General Information

  • CAS No. 40114-84-9
  • Cat. No. CS-B0349
  • Purity ≥98%
  • MDL No. MFCD03042397
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₄N₄O
  • Molecular Weight None
  • Synonym(s) None
  • SMILES N#CC(N=C(C1=O)C(C2=C1C=CC=C2)=N3)=C3C#N

Synthesis

  • Route1

    References

    • Hybrigenics S.A. Patent: EP1749822 A1, 2007 ; Location in patent: Page/Page column 18 ; EP 1749822 A1
  • Route2
    • In-stock
      Ninhydrin|CS-W018489
      485-47-2
    • 2,3-Diaminomaleonitrile|CS-0046789
      18514-52-8
    • ~95%
    • In-stock
      DCAF|CS-B0349
      40114-84-9

    References

    • Guedat, Philippe; Boissy, Guillaume; Borg-Capra, Catherine; Colland, Frederic; Daviet, Laurent; Formstecher, Etienne; Jacq, Xavier; Rain, Jean-Christophe; Delansorne, Rerni; Vallese, Stefania; Colombo, Matteo Patent: US2007/32499 A1, 2007 ; Location in patent: Page/Page column 12 ; US 20070032499 A1

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

Quality Control

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Computational Chemistry Data

  • TPSA   90.43
  • LogP   1.43136
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   0

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