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CS-W001157 4
Total: USD 88.00

1-(Cyano(phenyl)methyl)urea

  • CAS No. 88169-89-5

  • Cat. No. CS-0330681
  • Molecule weight175.19
  • Purity≥98%
  • MDL No.None

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

1-(Cyano(phenyl)methyl)urea|CS-0330681

Structure of 88169-89-5

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General Information

  • CAS No. 88169-89-5
  • Cat. No. CS-0330681
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉N₃O
  • Molecular Weight 175.19
  • Synonym(s) Urea, N-(cyanophenylmethyl)-
  • SMILES N#CC(NC(N)=O)C1=CC=CC=C1

Synthesis

  • Route1

    References

    • Machacek, Vladimir; Svobodova, Gabriela; Sterba, Vojeslav Collection of Czechoslovak Chemical Communications, 1987 , vol. 52, # 1 p. 140 - 155
  • Route2
    • 2-Amino-2-phenylacetonitrile|CS-0375675
      16750-42-8
    • ~%
    • 1-(Cyano(phenyl)methyl)urea|CS-0330681
      88169-89-5

    References

    • Cook; Hunter Journal of the Chemical Society, 1952 , p. 3789,3795
  • Route3

    References

    • Pinner; Lifschuetz Chemische Berichte, 1887 , vol. 20, p. 2353

Safety Information

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GHS Pictogram : N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   78.91
  • LogP   0.91958
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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