Cas no 1337879-85-2 (8-bromoisoquinolin-1-amine)

8-Bromoisoquinolin-1-amine is a brominated isoquinoline derivative with a reactive amine group at the 1-position, making it a valuable intermediate in organic synthesis and pharmaceutical research. The bromine substituent enhances its utility in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling the construction of complex heterocyclic frameworks. Its amine functionality allows for further derivatization, facilitating the development of biologically active compounds. This compound is particularly useful in medicinal chemistry for the design of potential drug candidates targeting neurological or oncological pathways. High purity and well-defined reactivity make it a reliable building block for researchers seeking to explore novel isoquinoline-based structures.
8-bromoisoquinolin-1-amine structure
8-bromoisoquinolin-1-amine structure
Product Name:8-bromoisoquinolin-1-amine
CAS No:1337879-85-2
MF:C9H7BrN2
MW:223.069280862808
CID:1238832
PubChem ID:74892169
Update Time:2025-10-14

8-bromoisoquinolin-1-amine Chemical and Physical Properties

Names and Identifiers

    • 8-bromoisoquinolin-1-amine
    • MFCD21365093
    • CS-0313714
    • 1337879-85-2
    • AKOS023773043
    • A921158
    • D79731
    • 1-Amino-8-bromoisoquinoline
    • PS-11596
    • 8-Bromo-1-isoquinolinamine
    • SCHEMBL24329216
    • DB-170474
    • 8-Bromoisoquinolin-1-amine, 1-Amino-8-bromo-2-azanaphthalene
    • MDL: MFCD21365093
    • Inchi: 1S/C9H7BrN2/c10-7-3-1-2-6-4-5-12-9(11)8(6)7/h1-5H,(H2,11,12)
    • InChI Key: VEHRKMAFAWPXEB-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC2C=CN=C(C=21)N

Computed Properties

  • Exact Mass: 221.97926g/mol
  • Monoisotopic Mass: 221.97926g/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-bromoisoquinolin-1-amine Security Information

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