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CS-W001157 4
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2-((Methylamino)methyl)benzonitrile

  • CAS No. 860751-77-5

  • Cat. No. CS-0513966
  • Purity≥96%
  • MDL No.MFCD09806609

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

2-((Methylamino)methyl)benzonitrile|CS-0513966

Structure of 860751-77-5

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General Information

  • CAS No. 860751-77-5
  • Cat. No. CS-0513966
  • Purity ≥96%
  • MDL No. MFCD09806609
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂
  • Molecular Weight None
  • Synonym(s) 2-[(Methylamino)methyl]benzonitrile
  • SMILES N#CC1=CC=CC=C1CNC

Description

2-((Methylamino)methyl)benzonitrile features a benzene ring bearing a nitrile group at position 1 and a methylaminomethyl substituent at position 2. This configuration delivers a polar, electron-rich side chain that enhances solubility and reactivity in synthetic transformations. The molecule exhibits bench-stable behavior and integrates readily into pharmaceutical scaffolds requiring amine-functionalized aryl linkages.

Application

2-((Methylamino)methyl)benzonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard functional group transformations. Its nitrile and primary amine functionalities provide orthogonal reactivity for cyclization, amidation, or coupling reactions. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for multi-step synthesis workflows in API development.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   35.82
  • LogP   1.27768
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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