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CS-W001157 4
Total: USD 88.00

3-Anilinopropionitrile

  • CAS No. 1075-76-9

  • Cat. No. CS-0076406
  • Purity≥97%
  • MDL No.None

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

3-Anilinopropionitrile|CS-0076406

Structure of 1075-76-9

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General Information

  • CAS No. 1075-76-9
  • Cat. No. CS-0076406
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂
  • Molecular Weight 146.19
  • Synonym(s) n-cyanoethyl aniline; 3-Anilinopropionitrile
  • SMILES N#CCCNC1=CC=CC=C1

Synthesis

  • Route1
    • null|null
      107-13-1
    • null|null
      74497-02-2
    • ~10%
    • 3-Anilinopropionitrile|CS-0076406
      1075-76-9

    References

    • Fadini, Luca; Togni, Antonio Tetrahedron Asymmetry, 2008 , vol. 19, # 22 p. 2555 - 2562
  • Route2
    • null|null
      542-76-7
    • null|null
      74497-02-2
    • ~82%
    • 3-Anilinopropionitrile|CS-0076406
      1075-76-9

    References

    • Romera, Juan L.; Cid, Jose M.; Trabanco, Andres A. Tetrahedron Letters, 2004 , vol. 45, # 48 p. 8797 - 8800
  • Route3
    • 3-Phenyl-1,3-oxazolidin-2-one|CS-0262349
      703-56-0
    • ~82%
    • 3-Anilinopropionitrile|CS-0076406
      1075-76-9

    References

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

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P302+P352-P304+P340

Quality Control

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Computational Chemistry Data

  • TPSA   35.82
  • LogP   2.01218
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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