Cas no 19165-47-0 (9H-Purin-6-amine,thallium(1+) salt (1:1))

9H-Purin-6-amine,thallium(1+) salt (1:1) structure
19165-47-0 structure
Product Name:9H-Purin-6-amine,thallium(1+) salt (1:1)
CAS No:19165-47-0
MF:C5H7N5Tl
MW:341.525880098343
CID:222600
PubChem ID:24194462
Update Time:2025-04-19

9H-Purin-6-amine,thallium(1+) salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • 9H-Purin-6-amine,thallium(1+) salt (1:1)
    • 7H-purin-6-amine,thallium
    • NSC168665
    • NSC-168665
    • 19165-47-0
    • 7H-Purin-6-amine--lambda~1~-thallanyl (1/1)
    • DTXSID80638527
    • Inchi: 1S/C5H5N5.Tl.2H/c6-4-3-5(9-1-7-3)10-2-8-4;;;/h1-2H,(H3,6,7,8,9,10);;;
    • InChI Key: ALEQDYQQTMMZTD-UHFFFAOYSA-N
    • SMILES: [TlH2].N1C=NC2=C1C(N)=NC=N2 |^1:0|

Computed Properties

  • Exact Mass: 340.02900
  • Monoisotopic Mass: 340.02892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 127
  • 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: 80.5?2

Experimental Properties

  • PSA: 80.48000
  • LogP: 0.51630
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