Cas no 64910-52-7 (3-(Methylamino)benzonitrile)

3-(Methylamino)benzonitrile is a versatile aromatic nitrile derivative featuring a methylamino substituent at the meta position. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its benzonitrile core offers reactivity for further functionalization, while the methylamino group enhances its utility in nucleophilic substitution and condensation reactions. The compound's stability and moderate solubility in common organic solvents facilitate its handling in synthetic workflows. It is commonly employed in the development of bioactive molecules, including heterocyclic compounds and amine-based derivatives. Proper storage under inert conditions is recommended to maintain its integrity.
3-(Methylamino)benzonitrile structure
3-(Methylamino)benzonitrile structure
Product Name:3-(Methylamino)benzonitrile
CAS No:64910-52-7
MF:C8H8N2
MW:132.162521362305
MDL:MFCD11153024
CID:1028391
PubChem ID:17794036
Update Time:2025-10-29

3-(Methylamino)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(Methylamino)benzonitrile
    • 3-methylamino-benzonitrile
    • Benzonitrile, 3-(methylamino)-
    • 3-methylaminobenzonitrile
    • XLZUKBAAILMFSU-UHFFFAOYSA-N
    • NE35637
    • AK137807
    • AB0097312
    • Z1259341028
    • Z335274890
    • AKOS000253989
    • BS-13247
    • SCHEMBL361389
    • DA-24868
    • EN300-55410
    • CS-0135560
    • O10890
    • MFCD11153024
    • A867790
    • 64910-52-7
    • DTXSID30591012
    • MDL: MFCD11153024
    • Inchi: 1S/C8H8N2/c1-10-8-4-2-3-7(5-8)6-9/h2-5,10H,1H3
    • InChI Key: XLZUKBAAILMFSU-UHFFFAOYSA-N
    • SMILES: N(C)C1C=CC=C(C#N)C=1

Computed Properties

  • Exact Mass: 132.06884
  • Monoisotopic Mass: 132.068748264g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 145
  • 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: 1.1
  • Topological Polar Surface Area: 35.8

Experimental Properties

  • Color/Form: No data available
  • Density: 1.1±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 259.8±23.0 °C at 760 mmHg
  • Flash Point: 110.9±22.6 °C
  • PSA: 35.82

3-(Methylamino)benzonitrile Pricemore >>

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