Cas no 7227-21-6 ([4-(azaniumylmethyl)cyclohexyl]methylazanium)

[4-(azaniumylmethyl)cyclohexyl]methylazanium structure
7227-21-6 structure
Product Name:[4-(azaniumylmethyl)cyclohexyl]methylazanium
CAS No:7227-21-6
MF:C8H20N2
MW:144.257802009583
CID:1758309
PubChem ID:5242220
Update Time:2025-04-21

[4-(azaniumylmethyl)cyclohexyl]methylazanium Chemical and Physical Properties

Names and Identifiers

    • [4-(azaniumylmethyl)cyclohexyl]methylazanium
    • ZINC00394530
    • AC1NRKDH
    • SBB069974
    • AKOS015894522
    • [4-(ammoniomethyl)cyclohexyl]methylammonium
    • A817882
    • I05-0399
    • ZINC00394530; AC1NRKDH; SBB069974; AKOS015894522; [4-(ammoniomethyl)cyclohexyl]methylammonium; A817882; I05-0399;
    • 7227-21-6
    • DTXSID80412642
    • OXIKYYJDTWKERT-UHFFFAOYSA-P
    • Inchi: 1S/C8H18N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6,9-10H2/p+2
    • InChI Key: OXIKYYJDTWKERT-UHFFFAOYSA-P
    • SMILES: [NH3+]CC1CCC(C[NH3+])CC1

Computed Properties

  • Exact Mass: 144.162648646g/mol
  • Monoisotopic Mass: 144.162648646g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 73.3
  • 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: 0.1
  • Topological Polar Surface Area: 55.3?2
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