Cas no 1374651-53-2 (6-(aminomethyl)-1(2h)-isoquinolinone)

6-(aminomethyl)-1(2h)-isoquinolinone structure
1374651-53-2 structure
Product Name:6-(aminomethyl)-1(2h)-isoquinolinone
CAS No:1374651-53-2
MF:C10H10N2O
MW:174.199202060699
CID:1244862
PubChem ID:97289952
Update Time:2025-04-20

6-(aminomethyl)-1(2h)-isoquinolinone Chemical and Physical Properties

Names and Identifiers

    • 6-(aminomethyl)-1(2h)-isoquinolinone
    • 6-(aMinoMethyl)isoquinolin-1(2H)-one
    • 1374651-53-2
    • 6-(Aminomethyl)-2H-isoquinolin-1-one
    • SCHEMBL22501747
    • Inchi: 1S/C10H10N2O/c11-6-7-1-2-9-8(5-7)3-4-12-10(9)13/h1-5H,6,11H2,(H,12,13)
    • InChI Key: AVBSLSNMHQUKPP-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC(CN)=CC=2C=CN1

Computed Properties

  • Exact Mass: 174.079312947g/mol
  • Monoisotopic Mass: 174.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 237
  • 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: 0.2
  • Topological Polar Surface Area: 55.1?2
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