Cas no 3483-30-5 (3-[3-(dimethylamino)propyl]-1,2,3-oxadiazol-3-ium-5-olate hydrochloride (1:1))

3-[3-(dimethylamino)propyl]-1,2,3-oxadiazol-3-ium-5-olate hydrochloride (1:1) structure
3483-30-5 structure
Product Name:3-[3-(dimethylamino)propyl]-1,2,3-oxadiazol-3-ium-5-olate hydrochloride (1:1)
CAS No:3483-30-5
MF:C7H14ClN3O2
MW:207.657960414886
CID:1466630
PubChem ID:198898
Update Time:2025-04-20

3-[3-(dimethylamino)propyl]-1,2,3-oxadiazol-3-ium-5-olate hydrochloride (1:1) Chemical and Physical Properties

Names and Identifiers

    • 3-[3-(dimethylamino)propyl]-1,2,3-oxadiazol-3-ium-5-olate hydrochloride (1:1)
    • 3-[3-(dimethylamino)propyl]oxadiazol-3-ium-5-olate,hydrochloride
    • Sydnone, 3-(3-(dimethylamino)propyl)-, monohydrochloride
    • 3483-30-5
    • 3-(3-(Dimethylamino)propyl)sydnone monohydrochloride
    • DTXSID20188379
    • Inchi: 1S/C7H13N3O2.ClH/c1-9(2)4-3-5-10-6-7(11)12-8-10;/h6H,3-5H2,1-2H3;1H
    • InChI Key: OPDWEBDRWYXRGZ-UHFFFAOYSA-N
    • SMILES: Cl.O1C(=C[N+](CCCN(C)C)=N1)[O-]

Computed Properties

  • Exact Mass: 207.07762
  • Monoisotopic Mass: 207.0774544g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 132
  • 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: 56.2?2

Experimental Properties

  • PSA: 56.21
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