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Reaction Details
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Cell Reactant:BDBM11
Syringe Reactant:BDBM36031
Meas. Tech.:ITC
Entry Date:10/07/10
 
ΔG°:-1.82±0.0300 (kcal/mole)
pH:5±0
Log10Kb:1.33± 0
Temperature:298±0 (K)
ΔH° :-1.75±0.0700 (kcal/mole)
ΔHobs:n/a
Ionic Strength:n/a
Corrected for ΔHioniz:n/a
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° :0±0 (kcal/mole-K)
Comments:First trial
 
Citation Rekharsky BDGoldberg RNSchwarz FPTewari YBRoss PDYamashoji YInoue 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 Soc 117:8830-40 (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
NameBDBM11
Synonyms:beta-cyclodextrin | betadex
TypeMolecular 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
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BDBM36031
Source:589-08-2 (Sigma)
Purity:n/a
Prep. Method:n/a
NameBDBM36031
Synonyms:N-methylphenethylammonium
TypeGuest
Emp. Form.C9H14N
Mol. Mass.136.2136
SMILESC[NH2+]CCc1ccccc1
Structure
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