Cas no 17686-53-2 (Guanidine,N'-cyano-N,N,N''-trimethyl-)

Guanidine,N'-cyano-N,N,N''-trimethyl- structure
17686-53-2 structure
Product Name:Guanidine,N'-cyano-N,N,N''-trimethyl-
CAS No:17686-53-2
MF:C5H10N4
MW:126.15969991684
CID:201931
PubChem ID:140272
Update Time:2025-04-19

Guanidine,N'-cyano-N,N,N''-trimethyl- Chemical and Physical Properties

Names and Identifiers

    • Guanidine,N'-cyano-N,N,N''-trimethyl-
    • 3-cyano-1,1,2-trimethylguanidine
    • N,N,N'-Trimethyl-1-cyanoguanidine
    • NCN=C(N(CH3)2)(NHCH3)
    • SCHEMBL16313565
    • AKOS006375982
    • DTXSID80170199
    • SCHEMBL19853559
    • 17686-53-2
    • Inchi: 1S/C5H10N4/c1-7-5(8-4-6)9(2)3/h1-3H3,(H,7,8)
    • InChI Key: ULFPSDSOEPFASD-UHFFFAOYSA-N
    • SMILES: N(C)(C)/C(=N\C)/NC#N

Computed Properties

  • Exact Mass: 126.0907
  • Monoisotopic Mass: 126.090546336g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 150
  • 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: 51.4?2

Experimental Properties

  • PSA: 51.42
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