Cryptofix 221

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Properties Simple | Detailed

Formula C16H32N2O5
IUPAC Name 4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tricosane
Molecular Mass 332.436 g·mol−1
Heat of Formation -813.4 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 413.65 Å 3
Surface Area 309.85 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 1.86 ± eV
Point Group Symmetry C1
Synonyms
  • 4,7,13,16,21-pentaoxa-1,10-diazabicyclo(8.8.5)tricosane
  • 4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5.]tricosane
  • cryptating agent 221
  • kryptofix 221
CAS Number(s)
  • 31364-42-8
InChIKey HDLXPNDSLDLJHF-UHFFFAOYSA-N
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