Cas no 5883-05-6 (3-[1,3,3-tris(2-cyanoethyl)-2-oxocyclohexyl]propanenitrile)

3-[1,3,3-tris(2-cyanoethyl)-2-oxocyclohexyl]propanenitrile structure
5883-05-6 structure
Product Name:3-[1,3,3-tris(2-cyanoethyl)-2-oxocyclohexyl]propanenitrile
CAS No:5883-05-6
MF:C18H22N4O
MW:310.393483638763
CID:1611290
PubChem ID:79989
Update Time:2025-04-21

3-[1,3,3-tris(2-cyanoethyl)-2-oxocyclohexyl]propanenitrile Chemical and Physical Properties

Names and Identifiers

    • 3-[1,3,3-tris(2-cyanoethyl)-2-oxocyclohexyl]propanenitrile
    • 2,2,6,6-tetracyanoethyl cyclohexanone
    • EINECS 227-559-5
    • 2-Oxo-1,1,3,3-cyclohexanetetrapropionitrile
    • 2,2,6,6-tetrakis(2-cyanoethyl)cyclohexanone
    • 3,3',3'',3'''-(2-oxocyclohexane-1,1,3,3-tetrayl)tetrapropanenitrile
    • 2-oxo-cyclohexane-1,1,3,3-tetrapropionitrile
    • 3,3',3'',3'''-(2-oxo-cyclohexane-1,1,3,3-tetrayl)-tetra-propionitrile
    • 1.1.3.3-Tetrakis-(2-cyan-aethyl)-cyclohexanon-(2)
    • BRN 3063826
    • cyclohexanone-2,2,6,6-tetrapropionitrile
    • 3,3',3'',3'''-(2-Oxo-cyclohexan-1,1,3,3-tetrayl)-tetra-propionitril
    • 2-Oxo-1,3,3-cyclohexanetetrapropionitrile
    • 1,1,3,3-Cyclohexanetetrapropionitrile, 2-oxo-
    • 2,2,6,6-tetracyanoethyl cyclohexanone; EINECS 227-559-5; 2-Oxo-1,1,3,3-cyclohexanetetrapropionitrile; 2,2,6,6-tetrakis(2-cyanoethyl)cyclohexanone; 3,3',3'',3'''-(2-oxocyclohexane-1,1,3,3-tetrayl)tetrapropanenitrile; 2-oxo-cyclohexane-1,1,3,3-tetrapropionitrile; 3,3',3'',3'''-(2-oxo-cyclohexane-1,1,3,3-tetrayl)-tetra-propionitrile; 1.1.3.3-Tetrakis-(2-cyan-aethyl)-cyclohexanon-(2); BRN 3063826; cyclohexanone-2,2,6,6-tetrapropionitrile; 3
    • STK806504
    • NS00046773
    • DTXSID60207558
    • WLN: L6VTJ B2CN B2CN F2CN F2CN
    • 4-10-00-03571 (Beilstein Handbook Reference)
    • 5883-05-6
    • 1,3,3-Cyclohexanetetrapropionitrile, 2-oxo-
    • AKOS001593262
    • NSC6942
    • SCHEMBL3988074
    • NSC405528
    • NSC 405528
    • NSC 6942
    • NSC-405528
    • NSC-6942
    • CVIHOXZFBYQKBG-UHFFFAOYSA-N
    • SR-01000398738
    • HMS1369H19
    • SR-01000398738-1
    • ChemDiv2_000173
    • Inchi： 1S/C18H22N4O/c19-12-2-8-17(9-3-13-20)6-1-7-18(16(17)23,10-4-14-21)11-5-15-22/h1-11H2
    • InChI Key： CVIHOXZFBYQKBG-UHFFFAOYSA-N
    • SMILES： O=C1C(CCC#N)(CCC#N)CCCC1(CCC#N)CCC#N

Computed Properties

  • Exact Mass: 310.17956
  • Monoisotopic Mass: 310.179
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 8
  • Complexity: 533
  • 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
  • Topological Polar Surface Area: 112A^2
  • XLogP3: 0.8

Experimental Properties

  • Density: 1.071
  • Boiling Point: 605.5°C at 760 mmHg
  • Flash Point: 320°C
  • Refractive Index: 1.485
  • PSA: 112.23
  • LogP: 3.92732

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