Chemical Properties of 4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane (CAS 23978-09-8)

InChI

InChI=1S/C18H36N2O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h1-18H2

InChI Key

AUFVJZSDSXXFOI-UHFFFAOYSA-N

Formula

C18H36N2O6

SMILES

C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2

Molecular Weight¹

376.49

CAS

23978-09-8

Other Names

• Kryptofix 222
• Cryptand 222
• Cryptate 222
• Cryptating agent 222
• Kriptofix 222
• Kryptofix Merck 222
• 2,2,2-Cryptand
• 13,16,21,24-Hexaoxa-1,10-diazabicyclo-(8,8,8)-hexacosane
• Ligand 222
• Crypt-2,2,2
• Cryptand C 222
• Cryptofix 222
• Kryptand 222
• NSC 264495

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	[7.50; 7.80]	eV
IE	7.50	eV	NIST
IE	7.80	eV	NIST
log10WS	1.19		Crippen Calculated Property
logPoct/wat	-0.283		Crippen Calculated Property
McVol	297.940	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to 4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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