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Cell Reactant:BDBM11
Syringe Reactant:BDBM50216627
Meas. Tech.:ITC
Entry Date:12/08/10
 
ΔG°:-6.31±0.0200 (kcal/mole)
pH:7±0
Log10Kb:4.55± 3.08
Temperature:303.25±0 (K)
ΔH° :-6.84±0.0400 (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 Carrazana JJover AMeijide FSoto VHVazquez Tato J Complexation of adamantyl compounds by beta-cyclodextrin and monoaminoderivatives. J Phys Chem B 109:9719-26 (2005) [PubMed]  Article
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Instrument Info
 
BDBM11
Source:n/a
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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BDBM50216627
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM50216627
Synonyms:(alpha-methyl-1-adamantyl)methylamine | 1-Adamantan-1-yl-ethylamine | CHEMBL959 | RIMANTADINE | rimantadin | rimantidin
TypeSmall organic molecule
Emp. Form.C12H21N
Mol. Mass.179.3018
SMILESCC(N)C12CC3CC(CC(C3)C1)C2 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:4:5:8:12.3.11,4:3:6.5.10:8,1:3:6.5.10:8|
Structure
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