Cas no 41283-66-3 (Guanidine, 1-butyl-3-cyano-)

Guanidine, 1-butyl-3-cyano- structure
Guanidine, 1-butyl-3-cyano- structure
Product Name:Guanidine, 1-butyl-3-cyano-
CAS No:41283-66-3
MF:C6H12N4
MW:140.186280250549
CID:2634922
PubChem ID:218734
Update Time:2025-04-21

Guanidine, 1-butyl-3-cyano- Chemical and Physical Properties

Names and Identifiers

    • 2-butyl-1-cyanoguanidine
    • AKOS040767446
    • 3-butyl-1-cyanoguanidine
    • DTXSID00194190
    • 3-04-00-00300 (Beilstein Handbook Reference)
    • SCHEMBL12344484
    • AKOS006363132
    • 1-butyl-3-cyano-guanidine
    • Guanidine, N-butyl-N'-cyano-
    • SCHEMBL2152977
    • 1-Butyl-3-cyanoguanidine
    • Guanidine, 1-butyl-3-cyano-
    • 41283-66-3
    • BRN 1766444
    • Inchi: 1S/C6H12N4/c1-2-3-4-9-6(8)10-5-7/h2-4H2,1H3,(H3,8,9,10)
    • InChI Key: MHDCDPXQCUJWCH-UHFFFAOYSA-N
    • SMILES: N(=C(/N)\NC#N)/CCCC

Computed Properties

  • Exact Mass: 140.106
  • Monoisotopic Mass: 140.106
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 152
  • 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: 0.4
  • Topological Polar Surface Area: 74.2?2

Experimental Properties

  • Density: 1.06
  • Boiling Point: 235.5°C at 760 mmHg
  • Flash Point: 96.2°C
  • Refractive Index: 1.521

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