Cas no 31255-22-8 (4,7,10,16,19,24,27-Heptaoxa-1,13-diazabicyclo[11.8.8]nonacosane(8CI,9CI))
![4,7,10,16,19,24,27-Heptaoxa-1,13-diazabicyclo[11.8.8]nonacosane(8CI,9CI) structure](https://ossimg.kuujia.com/scimg/31500/31255-22-8x500.png)
31255-22-8 structure
Product Name:4,7,10,16,19,24,27-Heptaoxa-1,13-diazabicyclo[11.8.8]nonacosane(8CI,9CI)
CAS No:31255-22-8
MF:C20H40N2O7
MW:420.540806770325
CID:313546
PubChem ID:193134
Update Time:2025-04-19
4,7,10,16,19,24,27-Heptaoxa-1,13-diazabicyclo[11.8.8]nonacosane(8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4,7,10,16,19,24,27-Heptaoxa-1,13-diazabicyclo[11.8.8]nonacosane(8CI,9CI)
- 4,7,10,16,19,24,27-heptaoxa-1,13-diazabicyclo[11.8.8]nonacosane
- [3.2.2]Cryptand
- 4,7,10,16,19,24,27-Heptaoxa-1,13-diazabicyclo(11.8.8)nonacosane
- 31255-22-8
- Cryptating agent 322
- SCHEMBL11583577
- DTXSID80185187
-
- Inchi： 1S/C20H40N2O7/c1-7-23-13-14-25-9-3-22-4-10-26-16-15-24-8-2-21(1)5-11-27-17-19-29-20-18-28-12-6-22/h1-20H2
- InChI Key： ADQBTNIMGRINEQ-UHFFFAOYSA-N
- SMILES： O1CCOCCN2CCOCCOCCOCCN(CCOCCOCC2)CC1
Computed Properties
- Exact Mass: 420.2837
- Monoisotopic Mass: 420.283552
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 29
- Rotatable Bond Count: 0
- Complexity: 314
- 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
- Topological Polar Surface Area: 71.1
- XLogP3: -1.2
Experimental Properties
- Density: 1.12
- Boiling Point: 557.9°C at 760 mmHg
- Flash Point: 153.2°C
- Refractive Index: 1.5
- PSA: 71.09
4,7,10,16,19,24,27-Heptaoxa-1,13-diazabicyclo[11.8.8]nonacosane(8CI,9CI) Related Literature
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Sandra Ast,Holger Müller,Roman Flehr,Tillmann Klamroth,Bernd Walz,Hans-Jürgen Holdt Chem. Commun. 2011 47 4685
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2. Chapter 14. Host–guest chemistryJ. F. Stoddart Annu. Rep. Prog. Chem. Sect. B: Org. Chem. 1983 80 353
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