Cas no 1564589-03-2 (Cyano(ethyl)propylamine)

Cyano(ethyl)propylamine is a versatile organic compound featuring both cyano and amine functional groups, making it valuable in synthetic chemistry and specialty applications. Its structure enables reactivity as an intermediate in the production of pharmaceuticals, agrochemicals, and fine chemicals. The presence of the cyano group allows for further functionalization, while the amine moiety facilitates condensation or coupling reactions. This compound is particularly useful in nucleophilic additions and as a precursor for heterocyclic synthesis. Its balanced polarity and moderate stability under standard conditions enhance its utility in controlled reaction environments. Proper handling is advised due to potential sensitivity to moisture and strong acids or bases.
Cyano(ethyl)propylamine structure
Cyano(ethyl)propylamine structure
Product Name:Cyano(ethyl)propylamine
CAS No:1564589-03-2
MF:C6H12N2
MW:112.172881126404
CID:5691530
PubChem ID:21398047
Update Time:2025-10-29

Cyano(ethyl)propylamine Chemical and Physical Properties

Names and Identifiers

    • EN300-1268739
    • cyano(ethyl)propylamine
    • 1564589-03-2
    • SCHEMBL10701101
    • Cyanamide, N-ethyl-N-propyl-
    • Cyano(ethyl)propylamine
    • Inchi: 1S/C6H12N2/c1-3-5-8(4-2)6-7/h3-5H2,1-2H3
    • InChI Key: IBDVDHDQGIATOQ-UHFFFAOYSA-N
    • SMILES: N(C#N)(CC)CCC

Computed Properties

  • Exact Mass: 112.100048391g/mol
  • Monoisotopic Mass: 112.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 89.9
  • 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: 1.8
  • Topological Polar Surface Area: 27?2

Experimental Properties

  • Density: 0.874±0.06 g/cm3(Predicted)
  • Boiling Point: 210.4±9.0 °C(Predicted)
  • pka: -4.29±0.70(Predicted)

Cyano(ethyl)propylamine Pricemore >>

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