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2-Amino-2-phenylacetonitrile hydrochloride

  • CAS No. 53641-60-4

  • Cat. No. CS-0063189
  • Purity≥97%
  • MDL No.MFCD00013022

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

2-Amino-2-phenylacetonitrile hydrochloride|CS-0063189

Structure of 53641-60-4

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General Information

  • CAS No. 53641-60-4
  • Cat. No. CS-0063189
  • Purity ≥97%
  • MDL No. MFCD00013022
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉ClN₂
  • Molecular Weight 168.62
  • Synonym(s) None
  • SMILES [H]Cl.N#CC(N)C1=CC=CC=C1

Description

2-Amino-2-phenylacetonitrile hydrochloride features a benzylamine scaffold with a nitrile group, offering a versatile synthetic handle for pharmaceutical intermediates. This bench-stable salt integrates readily into multistep syntheses, where its amino and nitrile functionalities enable selective transformations under mild conditions.

Application

2-Amino-2-phenylacetonitrile hydrochloride serves as a versatile building block in medicinal chemistry, enabling efficient access to β-amino nitriles and related heterocyclic scaffolds. Its bench-stable crystalline form facilitates handling and purification, while the amino and nitrile groups offer orthogonal reactivity for downstream functionalization. This compound functions effectively in coupling reactions, cyclizations, and transition-metal-catalyzed transformations commonly employed in API synthesis.

Synthesis

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      2-Amino-2-phenylacetonitrile hydrochloride|CS-0063189
      53641-60-4

    References

    • Canadian Journal of Chemistry, , vol. 65, p. 282 - 289

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   49.81
  • LogP   1.63178
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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