Cas no 54622-44-5 (1,4,8,11-Tetraazacyclotetradecane,5,5,7,12,12,14-hexamethyl-)

1,4,8,11-Tetraazacyclotetradecane,5,5,7,12,12,14-hexamethyl- structure
54622-44-5 structure
Product Name:1,4,8,11-Tetraazacyclotetradecane,5,5,7,12,12,14-hexamethyl-
CAS No:54622-44-5
MF:C16H36N4
MW:284.483843803406
CID:369745
PubChem ID:143337
Update Time:2025-04-19

1,4,8,11-Tetraazacyclotetradecane,5,5,7,12,12,14-hexamethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,4,8,11-Tetraazacyclotetradecane,5,5,7,12,12,14-hexamethyl-
    • 2,2,4,9,9,11-HEXAMETHYLTETRAAZA-14-CROWN-4 HYDRATE
    • 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane
    • 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazamacrocyclotetradecane
    • 5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane
    • DL-5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane
    • isocamphanone
    • rac-5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane
    • CBMicro_011386
    • CB14858
    • SCHEMBL1702315
    • 1,4,8,11-Tetraazacyclotetradecane, 5,5,7,12,12,14-hexamethyl-
    • 10368-90-8
    • 54622-44-5
    • 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
    • NSC-175445
    • Z56759128
    • BIM-0011484.P001
    • cis-(5,12)-7,7,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane
    • AKOS016874941
    • cid_143337
    • SMR000102396
    • MLS000105515
    • rel-(7R,14S)-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane
    • HMS2401L07
    • CHEMBL1362009
    • DTXSID701150714
    • BDBM51397
    • DTXSID70969892
    • MLS-0036195.0001
    • XHCNINMOALIGKM-UHFFFAOYSA-N
    • SMSF0003958
    • AKOS001030343
    • CHEBI:107967
    • Q27186319
    • 56144-66-2
    • Oprea1_182056
    • NSC175445
    • Inchi: 1S/C16H36N4/c1-13-11-15(3,4)19-10-8-18-14(2)12-16(5,6)20-9-7-17-13/h13-14,17-20H,7-12H2,1-6H3
    • InChI Key: XHCNINMOALIGKM-UHFFFAOYSA-N
    • SMILES: N1CCNC(C)CC(C)(C)NCCNC(C)CC1(C)C

Computed Properties

  • Exact Mass: 313.24500
  • Monoisotopic Mass: 284.294
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 248
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 48.1?2

Experimental Properties

  • PSA: 76.69000
  • LogP: 0.03830
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