Cas no 952917-89-4 (5-amino-2-(benzylamino)benzonitrile)

5-Amino-2-(benzylamino)benzonitrile is a versatile intermediate in organic synthesis, particularly valued for its bifunctional amine and nitrile groups, which enable diverse chemical transformations. The benzylamino moiety enhances solubility in organic solvents, facilitating reactions under mild conditions. Its aromatic amine group is reactive toward electrophilic substitution, making it useful for constructing heterocyclic compounds or functionalized aromatic systems. The nitrile group offers additional reactivity, including hydrolysis to carboxylic acids or reduction to primary amines. This compound is commonly employed in pharmaceutical and agrochemical research for developing bioactive molecules. Its stability and well-defined reactivity profile make it a reliable building block for complex synthetic pathways.
5-amino-2-(benzylamino)benzonitrile structure
952917-89-4 structure
Product Name:5-amino-2-(benzylamino)benzonitrile
CAS No:952917-89-4
MF:C14H13N3
MW:223.273122549057
MDL:MFCD13335211
CID:1985406
PubChem ID:17609525
Update Time:2025-05-28

5-amino-2-(benzylamino)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Amino-2-(benzylamino)benzonitrile
    • 5-Amino-2-benzylamino-benzonitrile
    • MFCD13335211
    • AKOS010536783
    • DTXSID10589876
    • CNB91789
    • SB40207
    • 952917-89-4
    • 5-amino-2-(benzylamino)benzonitrile
    • MDL： MFCD13335211
    • Inchi： 1S/C14H13N3/c15-9-12-8-13(16)6-7-14(12)17-10-11-4-2-1-3-5-11/h1-8,17H,10,16H2
    • InChI Key： CVXDKWLZMPOXSV-UHFFFAOYSA-N
    • SMILES： N(C1C=CC(=CC=1C#N)N)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 223.110947427g/mol
  • Monoisotopic Mass: 223.110947427g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 274
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 61.8?2

5-amino-2-(benzylamino)benzonitrile Pricemore >>

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