Cas no 1368642-42-5 (8-Chloroisoquinolin-1-amine)

8-Chloroisoquinolin-1-amine is a heterocyclic organic compound featuring a chloro-substituted isoquinoline core with an amine functional group at the 1-position. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of bioactive molecules. The chloro and amine groups offer versatile reactivity for further functionalization, enabling applications in medicinal chemistry, such as the synthesis of kinase inhibitors or antimicrobial agents. Its well-defined chemical properties and stability under standard conditions ensure consistent performance in synthetic workflows. The compound is typically supplied with high purity, making it suitable for research and industrial-scale applications requiring precise molecular modifications.
8-Chloroisoquinolin-1-amine structure
8-Chloroisoquinolin-1-amine structure
Product Name:8-Chloroisoquinolin-1-amine
CAS No:1368642-42-5
MF:C9H7ClN2
MW:178.618280649185
CID:1092638
PubChem ID:57180086
Update Time:2025-06-08

8-Chloroisoquinolin-1-amine Chemical and Physical Properties

Names and Identifiers

    • 8-Chloroisoquinolin-1-amine
    • A926602
    • 1368642-42-5
    • MDL: MFCD21876160
    • Inchi: 1S/C9H7ClN2/c10-7-3-1-2-6-4-5-12-9(11)8(6)7/h1-5H,(H2,11,12)
    • InChI Key: ZFONFQXXXRZADU-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC2C=CN=C(C=21)N

Computed Properties

  • Exact Mass: 178.0297759g/mol
  • Monoisotopic Mass: 178.0297759g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 163
  • 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: 2.4
  • Topological Polar Surface Area: 38.9?2

8-Chloroisoquinolin-1-amine Security Information

  • Storage Condition:Sealed in dry,2-8°C

8-Chloroisoquinolin-1-amine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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