Interaction Scheme
Molecule
Cyclohexanemethylamine
c = 6000.0 µM
Host
CB6
c = 3000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 170.0 | ± 8.5 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| kin= | 0.00087 | ± 4.35e-05 | M-1s-1 |
| kout= | 5.11764705882353e-06 | ± 2.6e-07 | s-1 |
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -12.73 | ± 0.12 | -3.04 | ± 0.03 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | 1H | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | Deuterium Oxide | |
| Sulfuric acid-d2 | ||
| Additives | Sodium sulfate | 200.0 mM |
| Sodium hydroxide | ||
| pH | 8.2 |
Please find here information about the dataset this interaction is part of.
| Citation: |
W. M. Nau, C. Marquez, SupraBank 2023, Two Mechanisms of Slow Host-Guest Complexation between Cucurbit[6]uril and Cyclohexylmethylamine: pH-Responsive Supramolecular Kinetics (dataset). https://doi.org/10.34804/supra.2021092862 |
| Link: | https://doi.org/10.34804/supra.2021092862 |
| 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)40:17%3C3155::AID-ANIE3155%3E3.0.CO;2-7 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Cyclohexanemethylamine (0.11764705882352941 M) and CB6 (0 — 0.23529411764705882 M).
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