Sulfated prism[6]arene binds one guest internally and one guest externally

Emmanuel A. Bazan-Bergamino, Steven Ayoub, David L. Mobley and Lyle Isaacs
Beilstein J. Org. Chem. 2026, 22, 1635–1648. https://doi.org/10.3762/bjoc.22.132

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula [C4H12N]+
Molecular Weight 74.14 g/mol
Exact Mass 74.0970 Da
InChI
InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1
InChIKey
QEMXHQIAXOOASZ-UHFFFAOYSA-N
SMILES
C[N@+](C)(C)C
Number of Atoms 17
Number of H-Bond Acceptors 0
Number of H-Bond Donors 0
Atoms in the Largest π-System 0
XLogP -0.1
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