Cas no 2098787-86-9 (2-(2-Hydrazinyl-2-oxoethyl)isoquinolin-2-ium bromide)

2-(2-Hydrazinyl-2-oxoethyl)isoquinolin-2-ium bromide structure
2098787-86-9 structure
Product Name:2-(2-Hydrazinyl-2-oxoethyl)isoquinolin-2-ium bromide
CAS No:2098787-86-9
MF:C11H12BrN3O
MW:282.136481285095
CID:5688061
PubChem ID:155487136
Update Time:2024-11-07

2-(2-Hydrazinyl-2-oxoethyl)isoquinolin-2-ium bromide Chemical and Physical Properties

Names and Identifiers

    • 2-(2-hydrazineyl-2-oxoethyl)isoquinolin-2-ium bromide
    • LCZC2682
    • 2-(2-Hydrazinyl-2-oxoethyl)isoquinolin-2-ium bromide
    • 2098787-86-9
    • 2-[(hydrazinecarbonyl)methyl]isoquinolin-2-ium bromide
    • Inchi: 1S/C11H11N3O.BrH/c12-13-11(15)8-14-6-5-9-3-1-2-4-10(9)7-14;/h1-7H,8,12H2;1H
    • InChI Key: ZUPUZWRZWFIZQG-UHFFFAOYSA-N
    • SMILES: [Br-].O=C(C[N+]1C=CC2C=CC=CC=2C=1)NN

Computed Properties

  • Exact Mass: 281.01637g/mol
  • Monoisotopic Mass: 281.01637g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 232
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 59?2
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