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Cryptand 2.2.2

CAT: 0804-HY-W011060-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W011060-02Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cryptand 2.2.2 is a metal ion chelating agent that can selectively form complexes with metal ions. At room temperature, Cryptand 2.2.2 can serve as a host molecule, using the chelation effect to selectively bind desired ions (such as Zn2+, Co2+, Ni2+, Cu2+) . Cryptand 2.2.2 can be used in the preparation of nanoparticles, transition metal compounds, and so on[1].
CAS Number
23978-09-8
Product Name Alternative
4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
UNSPSC
12352200
Hazard Statement
H302, H315, H318
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/cryptand-2-2-2.html
Purity
99.99
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
N12CCOCCOCCN(CCOCCOCC2)CCOCCOCC1
Molecular Formula
C18H36N2O6
Molecular Weight
376.49
Precautions
H302, H315, H318
References & Citations
[1]Isaeva V A, et al. Quantum-Chemical Calculations and Stability Analysis of Copper (II) Complexes with Cryptand [2.2. 2][J]. Russian Journal of Inorganic Chemistry, 2021, 66: 1696-1702.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

2,2,2-Cryptand

forms ligands with metal cations; structure

CAS Number23978-09-8
PubChem CID72801
IUPAC Name4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
Molecular FormulaC18H36N2O6
Molecular Weight376.5
XLogP-1
Topological Polar Surface Area61.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count26
Formal Charge0
Complexity247
SMILES
C1COCCOCCN2CCOCCOCCN1CCOCCOCC2
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
InChIKey
AUFVJZSDSXXFOI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2,2-Cryptand
CAS: 23978-09-8
CID: 72801
Formula: C18H36N2O6
MW: 376.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.5
XLogP3-1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass376.25733687
Monoisotopic Mass376.25733687
Topological Polar Surface Area61.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity247
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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