Cas no 10321-49-0 (4-Bromoisoquinolin-3-amine)

4-Bromoisoquinolin-3-amine structure
4-Bromoisoquinolin-3-amine structure
Product Name:4-Bromoisoquinolin-3-amine
CAS No:10321-49-0
MF:C9H7BrN2
MW:223.069280862808
MDL:MFCD00176837
CID:821422
PubChem ID:4571083
Update Time:2025-04-19

4-Bromoisoquinolin-3-amine Chemical and Physical Properties

Names and Identifiers

    • 4-Bromoisoquinolin-3-amine
    • 4-Bromo-isoquinolin-3-ylamine
    • 4-Bromoisoquinoline-3-amine
    • E78339
    • AXCRSCRLCCCIJP-UHFFFAOYSA-N
    • BS-49462
    • 10321-49-0
    • 3-AMINO-4-BROMOISOQUINOLINE
    • DB-058955
    • DTXSID90404371
    • AKOS016004552
    • SY293525
    • AC-28299
    • CS-0127933
    • MB00823
    • MFCD00176837
    • SCHEMBL15401178
    • MDL： MFCD00176837
    • Inchi： 1S/C9H7BrN2/c10-8-7-4-2-1-3-6(7)5-12-9(8)11/h1-5H,(H2,11,12)
    • InChI Key： AXCRSCRLCCCIJP-UHFFFAOYSA-N
    • SMILES： BrC1=C(N)N=CC2C=CC=CC=21

Computed Properties

  • Exact Mass: 221.97926g/mol
  • Monoisotopic Mass: 221.97926g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • 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

Experimental Properties

  • Density: 1.649±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 120-122 oC (water )
  • Boiling Point: 351.4±22.0 °C at 760 mmHg
  • Flash Point: 166.3±22.3 °C
  • Solubility: Very slightly soluble (0.29 g/l) (25 o C),
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

4-Bromoisoquinolin-3-amine Security Information

4-Bromoisoquinolin-3-amine Pricemore >>

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