Cas no 1215767-96-6 (5-Amino-3-chloro-1-methylisoquinoline)

5-Amino-3-chloro-1-methylisoquinoline structure
1215767-96-6 structure
Product Name:5-Amino-3-chloro-1-methylisoquinoline
CAS No:1215767-96-6
MF:C10H9ClN2
MW:192.644860982895
CID:2106089
Update Time:2023-08-03

5-Amino-3-chloro-1-methylisoquinoline Chemical and Physical Properties

Names and Identifiers

    • 3-chloro-1-methylisoquinolin-5-amine
    • 5-Amino-3-chloro-1-methylisoquinoline
    • WDPFKUHZQWZKFE-UHFFFAOYSA-N
    • Inchi: 1S/C10H9ClN2/c1-6-7-3-2-4-9(12)8(7)5-10(11)13-6/h2-5H,12H2,1H3
    • InChI Key: WDPFKUHZQWZKFE-UHFFFAOYSA-N
    • SMILES: ClC1=CC2C(=CC=CC=2C(C)=N1)N

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 186
  • Topological Polar Surface Area: 38.9
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