Cas no 90557-28-1 (3-Amino-2,5-dimethylbenzonitrile)

3-Amino-2,5-dimethylbenzonitrile is a substituted benzonitrile derivative featuring both amino and methyl functional groups on its aromatic ring. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its structural features, including the electron-donating amino group and the nitrile moiety, make it valuable for further functionalization, such as coupling reactions or heterocycle formation. The dimethyl substitution enhances steric and electronic properties, influencing reactivity and selectivity in synthetic pathways. The compound is typically characterized by high purity and stability, ensuring consistent performance in research and industrial applications. Proper handling and storage are recommended to maintain its integrity.
3-Amino-2,5-dimethylbenzonitrile structure
90557-28-1 structure
Product Name:3-Amino-2,5-dimethylbenzonitrile
CAS No:90557-28-1
MF:C9H10N2
MW:146.189101696014
MDL:MFCD18826302
CID:798450
PubChem ID:45078956
Update Time:2025-06-30

3-Amino-2,5-dimethylbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,3-amino-2,5-dimethyl-
    • Benzonitrile, 3-amino-2,5-dimethyl- (7CI)
    • 3-Amino-2,5-dimethylbenzonitrile
    • AK465846
    • C77067
    • MFCD18826302
    • DS-18834
    • CS-0161157
    • DB-274657
    • BENZONITRILE, 3-AMINO-2,5-DIMETHYL-
    • SB75423
    • AKOS006360510
    • 90557-28-1
    • MDL： MFCD18826302
    • Inchi： 1S/C9H10N2/c1-6-3-8(5-10)7(2)9(11)4-6/h3-4H,11H2,1-2H3
    • InChI Key： GBMHMRUGCQCDJK-UHFFFAOYSA-N
    • SMILES： N#CC1C(C)=C(N)C=C(C)C=1

Computed Properties

  • Exact Mass: 146.084
  • Monoisotopic Mass: 146.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 179
  • 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
  • Topological Polar Surface Area: 49.8
  • XLogP3: 1.7

3-Amino-2,5-dimethylbenzonitrile Pricemore >>

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abcr
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