Cas no 98198-49-3 (4-(Aminomethyl)-3-bromopyridine 1-oxide)

4-(Aminomethyl)-3-bromopyridine 1-oxide structure
98198-49-3 structure
Product Name:4-(Aminomethyl)-3-bromopyridine 1-oxide
CAS No:98198-49-3
MF:C6H7BrN2O
MW:203.036580324173
CID:1094058
PubChem ID:72942939
Update Time:2025-04-20

4-(Aminomethyl)-3-bromopyridine 1-oxide Chemical and Physical Properties

Names and Identifiers

    • 4-(Aminomethyl)-3-bromopyridine 1-oxide
    • (3-bromo-1-oxidopyridin-1-ium-4-yl)methanamine
    • 98198-49-3
    • AKOS022188701
    • Inchi: 1S/C6H7BrN2O/c7-6-4-9(10)2-1-5(6)3-8/h1-2,4H,3,8H2
    • InChI Key: STNIJESQRUJITJ-UHFFFAOYSA-N
    • SMILES: BrC1C=[N+](C=CC=1CN)[O-]

Computed Properties

  • Exact Mass: 201.97418g/mol
  • Monoisotopic Mass: 201.97418g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 112
  • 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: -0.6
  • Topological Polar Surface Area: 51.5?2

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