Interaction

curated

Interaction Scheme

Molecule

Untitled
Cyclohexanemethylamine

c = 0.0 — 6000.0 µM

Host

Cb6
CB6

c = 3000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 80.0 ± 0.4 M-1
Kd =
logKa = 1.9 ± 0.0
T 40.0 °C ≈ 313 K
kin= 0.00088 ± M-1s-1
kout= 1.1e-05 ± s-1
Energy kJ mol-1 kcal mol-1
ΔG = -11.41 ± 0.01 -2.73 ± 0.0
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents Deuterium Oxide 50.0 %
Formic acid 50.0 %
Please find here information about the dataset this interaction is part of.
Citation:

W. M. Nau, C. Marquez, SupraBank 2024, ["Two Mechanisms of Slow Host-Guest Complexation between Cucurbit[6]uril and Cyclohexylmethylamine: pH-Responsive Supramolecular Kinetics"] (dataset). https://doi.org/10.34804/supra.20210928120

Link: https://doi.org/10.34804/supra.20210928120
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

C. Marquez, W. M. Nau, Angew. Chem. Int. Ed. 2001, 40, 3155–3160.

Link: https://doi.org/10.1002/1521-3773(20010903)40%253A17%3C3155%253A%253AAID-ANIE3155%3E3.0.CO%253B2-7

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Cyclohexanemethylamine (0.25 M) and CB6 (0 — 0.5 M).