Cas no 28818-57-7 (1,4-Cyclohexanediamine, 2,5-dimethyl-)

1,4-Cyclohexanediamine, 2,5-dimethyl- structure
28818-57-7 structure
Product Name:1,4-Cyclohexanediamine, 2,5-dimethyl-
CAS No:28818-57-7
MF:C8H18N2
MW:142.241921901703
CID:1436646
PubChem ID:15375500
Update Time:2025-04-20

1,4-Cyclohexanediamine, 2,5-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Cyclohexanediamine, 2,5-dimethyl-
    • 2,5-dimethylcyclohexane-1,4-diamine
    • 28818-57-7
    • DTXSID80572154
    • SCHEMBL6549494
    • Inchi： 1S/C8H18N2/c1-5-3-8(10)6(2)4-7(5)9/h5-8H,3-4,9-10H2,1-2H3
    • InChI Key： XLDYSIKFNFIIIQ-UHFFFAOYSA-N
    • SMILES： NC1CC(C)C(CC1C)N

Computed Properties

  • Exact Mass: 142.14714
  • Monoisotopic Mass: 142.146998583g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 99.8
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 52?2

Experimental Properties

  • PSA: 52.04

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