Reaction Details | |
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Cell Reactant: | BDBM11 |
Syringe Reactant: | BDBM36017 |
Meas. Tech.: | ITC |
Entry Date: | 10/07/10 |
ΔG°: | -1.23±0.0800 (kcal/mole) |
pH: | 5±0 |
Log10Kb: | 0.898± 0.0414 |
Temperature: | 298±0 (K) |
ΔH° : | -3.23±0.380 (kcal/mole) |
ΔHobs: | n/a |
Ionic Strength: | n/a |
n/a | |
Protons Released: | n/a |
ΔCp : | n/a |
Stoich. Param.: | n/a |
ΔS° : | -0.0100±0 (kcal/mole-K) |
Comments: | First trial |
Citation | Rekharsky, BD; Goldberg, RN; Schwarz, FP; Tewari, YB; Ross, PD; Yamashoji, Y; Inoue, Y Thermodynamic and Nuclear Magnetic Resonance Study of the Interactions of alpha-and beta-Cyclodextrin with Model Substances: Phenethylamine, Ephedrines, and Related Substances J Am Chem Soc117:8830-40 (1995) |
More Info.: | Get all data from this article , ITC RUN data , Solution Info , Instrument Info |
BDBM11 | |
Source: | 7585-39-9 (Sigma) |
Purity: | n/a |
Prep. Method: | n/a |
Name | BDBM11 |
Synonyms: | beta-cyclodextrin | betadex |
Type | Molecular Host |
Emp. Form. | C42H70O35 |
Mol. Mass. | 1134.9842 |
SMILES | [H][C@]1(CO)O[C@]2([H])O[C@]3([H])[C@@]([H])(CO)O[C@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@]([H])(O[C@]5([H])[C@@]([H])(CO)O[C@]([H])(O[C@]6([H])[C@@]([H])(CO)O[C@]([H])(O[C@]7([H])[C@@]([H])(CO)O[C@]([H])(O[C@]8([H])[C@@]([H])(CO)O[C@]([H])(O[C@@]1([H])[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]8([H])O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O |
Structure | |
BDBM36017 | |
Source: | 2045-79-6 (Aldrich) |
Purity: | n/a |
Prep. Method: | n/a |
Name | BDBM36017 |
Synonyms: | (2-methoxyphenethyl)ammonium |
Type | Guest |
Emp. Form. | C9H14NO |
Mol. Mass. | 152.213 |
SMILES | COc1ccccc1CC[NH3+] |
Structure |
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