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Cell Reactant:BDBM36250
Syringe Reactant:BDBM50216627
Meas. Tech.:ITC
Entry Date:12/08/10
 
ΔG°:-3.31±0.0100 (kcal/mole)
pH:7±0
Log10Kb:2.38± 1.79
Temperature:303.25±0 (K)
ΔH° :-4.14±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 B109:9719-26 (2005) [PubMed]  Article
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Instrument Info
 
BDBM36250
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM36250
Synonyms:3-NH2-beta-cyclodextrin
TypeMolecular Host
Emp. Form.C42H71NO34
Mol. Mass.1133.9994
SMILESN[C@@H]1[C@@H](O)[C@@H]2O[C@H](CO)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O2)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]1O
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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