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Tying a knot between crown ethers and porphyrins

Maksym Matviyishyn and Bartosz Szyszko

Beilstein J. Org. Chem. 2023, 19, 1630–1650. https://doi.org/10.3762/bjoc.19.120

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Chemical structure C<sub>4</sub>H<sub>12</sub>N<sub>2</sub>O

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Extracted from

Scheme 10

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₄H₁₂N₂O
Molecular Weight	104.15 g/mol
Exact Mass	104.0950 Da
InChI	InChI=1S/C4H12N2O/c5-1-3-7-4-2-6/h1-6H2
InChIKey	GXVUZYLYWKWJIM-UHFFFAOYSA-N
SMILES	C(COCCN)N
Number of Atoms	19
Number of H-Bond Acceptors	3
Number of H-Bond Donors	2
Atoms in the Largest π-System	0
XLogP	-1.5

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