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CS-W001157 4
Total: USD 88.00

3-Amino-3-(3-cyanophenyl)propanoic acid

  • CAS No. 80971-96-6

  • Cat. No. CS-0466499
  • Purity≥98%
  • MDL No.MFCD02653337

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

3-Amino-3-(3-cyanophenyl)propanoic acid|CS-0466499

Structure of 80971-96-6

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General Information

  • CAS No. 80971-96-6
  • Cat. No. CS-0466499
  • Purity ≥98%
  • MDL No. MFCD02653337
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂O₂
  • Molecular Weight 190.20
  • Synonym(s) β-(m-Cyanphenyl)-β-alanin
  • SMILES C1=CC(=CC(=C1)C(CC(=O)O)N)C#N

Synthesis

  • Route1

    References

    • Nar, Herbert; Priepke, Henning; Ries, Uwe; Stassen, Jean Marie; Wienen, Wolfgang Patent: US2002/183519 A1, 2002 ; US 20020183519 A1
  • Route2

    References

    • Wagner; Grasshoff; Kasek Pharmazie, 1981 , vol. 36, # 9 p. 607 - 609

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   87.11
  • LogP   1.03278
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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