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CS-W001157 4
Total: USD 88.00

3-[(4-methoxyphenyl)amino]propanenitrile

  • CAS No. 33141-33-2

  • Cat. No. CS-0219796
  • Molecule weight176.22
  • Purity≥97%
  • MDL No.None

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

3-[(4-methoxyphenyl)amino]propanenitrile|CS-0219796

Structure of 33141-33-2

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General Information

  • CAS No. 33141-33-2
  • Cat. No. CS-0219796
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂O
  • Molecular Weight 176.22
  • Synonym(s) 3-(4-Methoxyanilino)propanenitrile
  • SMILES COC1=CC=C(C=C1)NCCC#N

Synthesis

  • Route1
    • null|null
      104-94-9
    • null|null
      107-13-1
    • ~96%
    • 3-[(4-methoxyphenyl)amino]propanenitrile|CS-0219796
      33141-33-2

    References

    • Basu, Basudeb; Das, Pralay; Hossain, Ismail Synlett, 2004 , # 14 p. 2630 - 2632
  • Route2
    • null|null
      5198-48-1
    • ~79%
    • 3-[(4-methoxyphenyl)amino]propanenitrile|CS-0219796
      33141-33-2

    References

    • Taniguchi, Tsuyoshi; Goto, Naoya; Ishibashi, Hiroyuki Tetrahedron Letters, 2009 , vol. 50, # 34 p. 4857 - 4858
  • Route3

    References

    • Bauer et al. Journal of the Chemical Society, 1951 , p. 3311,3314 Full Text Show Details Cymerman-Craig et al. Journal of the Chemical Society, 1955 , p. 3628,3630 Full Text Show Details Bechli Zhurnal Obshchei Khimii, 1951 , vol. 21, p. 86,89; engl. Ausg. S. 93,96

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   45.05
  • LogP   2.02078
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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