Cas no 20101-86-4 (1,4-Cyclohexanedicarboxamide)

1,4-Cyclohexanedicarboxamide structure
1,4-Cyclohexanedicarboxamide structure
Product Name:1,4-Cyclohexanedicarboxamide
CAS No:20101-86-4
MF:C8H14N2O2
MW:170.208961963654
CID:240758
PubChem ID:89270
Update Time:2025-04-19

1,4-Cyclohexanedicarboxamide Chemical and Physical Properties

Names and Identifiers

    • 1,4-Cyclohexanedicarboxamide
    • transcyclohexane-1,4-dicarboxylic acid amide
    • 20101-86-4
    • DTXSID3066556
    • SCHEMBL9797557
    • 1,4-Cyclohexanedicarboxamide, cis-
    • A848579
    • Cyclohexane-1,4-dicarboxylic acid diamide
    • AKOS006313217
    • Cyclohexane-cis-1,4-dicarboxamide
    • (1R,4R)-CYCLOHEXANE-1,4-DICARBOXAMIDE
    • 6-PHENYL-3(2H)-PYRIDAZINONE-4-CARBOXYLICACIDETHYLESTER
    • SCHEMBL13354176
    • 1,4-Cyclohexanedicarboxamide #
    • cis-1,4-Cyclohexanedicarboxamide
    • cyclohexane-1,4-dicarboxamide
    • trans-Cyclohexane-1,4-dicarboxylic acid diamide
    • ZWUNKULTLYLLTH-OLQVQODUSA-N
    • NSC-145146
    • 54657-09-9
    • MFCD09991659
    • SCHEMBL383436
    • NSC145146
    • ZWUNKULTLYLLTH-IZLXSQMJSA-N
    • SCHEMBL13332956
    • trans-Cyclohexane-1,4-dicarboxamide
    • Inchi： 1S/C8H14N2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h5-6H,1-4H2,(H2,9,11)(H2,10,12)
    • InChI Key： ZWUNKULTLYLLTH-UHFFFAOYSA-N
    • SMILES： O=C(C1CCC(C(N)=O)CC1)N

Computed Properties

  • Exact Mass: 170.10562
  • Monoisotopic Mass: 170.106
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 173
  • 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: -0.8
  • Topological Polar Surface Area: 86.2?2

Experimental Properties

  • Density: 1.187
  • Boiling Point: 471.8°C at 760 mmHg
  • Flash Point: 239.1°C
  • Refractive Index: 1.524
  • PSA: 86.18

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