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Dibenzo-18-crown-6

CAT: 0804-HY-40309Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-40309Size:25 g
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Description
Dibenzo-18-crown-6 is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
14187-32-7
UNSPSC
12352200
Hazard Statement
H319
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/dibenzo-18-crown-6.html
Purity
99.86
Solubility
H2O : < 0.1 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
C12=CC=CC=C1OCCOCCOC3=C(C=CC=C3)OCCOCCO2
Molecular Formula
C20H24O6
Molecular Weight
360.40
Precautions
H319
Shipping Conditions
Room Temperature
Storage Conditions
RT, sealed storage, away from moisture and light
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Dibenzo-18-crown-6

Dibenzo-18-crown-6 is a crown ether that is 18-crown-6 ortho-fused to two benzene rings at positions 8-9 and 17-18. It has a role as a phase-transfer catalyst. It is a member of benzenes and a crown ether.

CAS Number14187-32-7
PubChem CID26541
IUPAC Name2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
Molecular FormulaC20H24O6
Molecular Weight360.4
XLogP2.2
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count26
Formal Charge0
Complexity300
SMILES
C1COC2=CC=CC=C2OCCOCCOC3=CC=CC=C3OCCO1
InChI
InChI=1S/C20H24O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-8H,9-16H2
InChIKey
YSSSPARMOAYJTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibenzo-18-crown-6
CAS: 14187-32-7
CID: 26541
Formula: C20H24O6
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass360.15728848
Monoisotopic Mass360.15728848
Topological Polar Surface Area55.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity300
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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