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CS-W001157 4
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3-(Benzylamino)propanenitrile

  • CAS No. 706-03-6

  • Cat. No. CS-0094415
  • Purity≥97%
  • MDL No.MFCD00001955

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

3-(Benzylamino)propanenitrile|CS-0094415

Structure of 706-03-6

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General Information

  • CAS No. 706-03-6
  • Cat. No. CS-0094415
  • Purity ≥97%
  • MDL No. MFCD00001955
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂
  • Molecular Weight 160.22
  • Synonym(s) Propanenitrile, 3-((phenylmethyl)amino)-
  • SMILES N#CCCNCC1=CC=CC=C1

Description

3-(Benzylamino)propanenitrile features a benzylamine moiety linked to a nitrile-bearing aliphatic chain, enabling direct integration into amine-functionalized scaffolds. This bifunctional compound facilitates coupling reactions under mild conditions and exhibits stability in common organic solvents.

Application

3-(Benzylamino)propanenitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and amino acid derivatives. Its nitrile group facilitates nucleophilic additions and cyclization reactions, while the benzylamino functionality offers orthogonal reactivity for further functionalization. The compound exhibits good bench stability and is compatible with standard purification techniques, making it well-suited for iterative synthetic workflows in API development.

Synthesis

  • Route1
    • null|null
      107-13-1
    • null|null
      100-46-9
    • ~98%
    • In-stock
      3-(Benzylamino)propanenitrile|CS-0094415
      706-03-6

    References

    • Xu, Li-Wen; Li, Lyi; Xia, Chun-Gu Helvetica Chimica Acta, 2004 , vol. 87, # 6 p. 1522 - 1526
  • Route2
    • null|null
      107-13-1
    • null|null
      100-46-9
    • ~96%
    • In-stock
      3-(Benzylamino)propanenitrile|CS-0094415
      706-03-6
    • 3,3'-(Benzylazanediyl)dipropanenitrile|CS-0523291
      782-87-6

    References

    • New Journal of Chemistry, , vol. 28, # 2 p. 183 - 184
  • Route3
    • null|null
      25630-14-2
    • ~79%
    • In-stock
      3-(Benzylamino)propanenitrile|CS-0094415
      706-03-6

    References

    • Fujimori, Ken; Yoshimoto, Hiroshi; Oae, Shiguri Tetrahedron Letters, 1980 , vol. 21, p. 3385 - 3388

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   35.82
  • LogP   1.68988
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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