Cas no 1637-45-2 (Isoquinolinium,1,2,3,4-tetrahydro-2,2-dimethyl-, iodide (1:1))

Isoquinolinium,1,2,3,4-tetrahydro-2,2-dimethyl-, iodide (1:1) structure
1637-45-2 structure
Product Name:Isoquinolinium,1,2,3,4-tetrahydro-2,2-dimethyl-, iodide (1:1)
CAS No:1637-45-2
MF:C11H16IN
MW:289.155915260315
CID:224782
PubChem ID:13047371
Update Time:2025-04-19

Isoquinolinium,1,2,3,4-tetrahydro-2,2-dimethyl-, iodide (1:1) Chemical and Physical Properties

Names and Identifiers

    • Isoquinolinium,1,2,3,4-tetrahydro-2,2-dimethyl-, iodide (1:1)
    • 2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium,iodide
    • DTXSID30516326
    • NSC79788
    • 2,2-Dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium iodide
    • AKOS024339898
    • 1637-45-2
    • NSC-79788
    • Inchi: 1S/C11H16N.HI/c1-12(2)8-7-10-5-3-4-6-11(10)9-12;/h3-6H,7-9H2,1-2H3;1H/q+1;/p-1
    • InChI Key: JEXHVRQCLSJLRD-UHFFFAOYSA-M
    • SMILES: [I-].[N+]1(C)(C)CC2C=CC=CC=2CC1

Computed Properties

  • Exact Mass: 272.9071
  • Monoisotopic Mass: 289.03275g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 162
  • 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: 0?2

Experimental Properties

  • PSA: 0
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