Cas no 68140-96-5 (3-(2-butoxyethoxy)propiononitrile)

3-(2-butoxyethoxy)propiononitrile structure
68140-96-5 structure
Product Name:3-(2-butoxyethoxy)propiononitrile
CAS No:68140-96-5
MF:C9H17NO2
MW:171.23678278923
CID:969114
PubChem ID:109627
Update Time:2025-04-19

3-(2-butoxyethoxy)propiononitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(2-butoxyethoxy)propiononitrile
    • 3-(2-butoxyethoxy)propanenitrile
    • Propanenitrile, 3-(2-butoxyethoxy)-
    • NS00059889
    • DTXSID0071176
    • SCHEMBL8880676
    • EINECS 268-819-8
    • 68140-96-5
    • OSUBSXBLNSDLKI-UHFFFAOYSA-N
    • Inchi: 1S/C9H17NO2/c1-2-3-6-11-8-9-12-7-4-5-10/h2-4,6-9H2,1H3
    • InChI Key: OSUBSXBLNSDLKI-UHFFFAOYSA-N
    • SMILES: O(CCOCCC#N)CCCC

Computed Properties

  • Exact Mass: 171.12601
  • Monoisotopic Mass: 171.125928785g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 8
  • Complexity: 128
  • 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: 0.9
  • Topological Polar Surface Area: 42.2?2

Experimental Properties

  • PSA: 42.25
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