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CS-W001157 4
Total: USD 88.00

1-(2-Acetyl-3-oxobut-1-en-1-yl)urea

  • CAS No. 6971-56-8

  • Cat. No. CS-0326596
  • Purity95+%
  • MDL No.None

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

1-(2-Acetyl-3-oxobut-1-en-1-yl)urea|CS-0326596

Structure of 6971-56-8

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General Information

  • CAS No. 6971-56-8
  • Cat. No. CS-0326596
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀N₂O₃
  • Molecular Weight 170.17
  • Synonym(s) N-(2-acetyl-3-oxobut-1-en-1-yl)urea
  • SMILES CC(C(C(C)=O)=CNC(N)=O)=O

Synthesis

  • Route1
    • In-stock
      Urea|CS-B1800
      57-13-6
    • null|null
      123-54-6
    • null|null
      149-73-5
    • ~85%
    • 1-(2-Acetyl-3-oxobut-1-en-1-yl)urea|CS-0326596
      6971-56-8

    References

    • Majee; Kundu; Santra; Hajra Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2014 , vol. 53, # 1 p. 124 - 126
  • Route2
    • null|null
      122-51-0
    • In-stock
      Urea|CS-B1800
      57-13-6
    • null|null
      123-54-6
    • ~56%
    • 1-(2-Acetyl-3-oxobut-1-en-1-yl)urea|CS-0326596
      6971-56-8

    References

    • Vardanyan; Hruby; Danagulyan; Mkrtchyan Journal of Heterocyclic Chemistry, 2005 , vol. 42, # 4 p. 557 - 562
  • Route3
    • null|null
      123-54-6
    • ~%
    • 1-(2-Acetyl-3-oxobut-1-en-1-yl)urea|CS-0326596
      6971-56-8

    References

    • Justus Liebigs Annalen der Chemie, , vol. 297, p. 57 Chemische Berichte, , vol. 26, p. 2731

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   89.26
  • LogP   -0.2834
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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