Reaction Details  Report a problem with these data
Cell Reactant:
BDBM11
Syringe Reactant:
BDBM36018
Meas. Tech.:
ITC
Entry Date.:
2010-10-07
ΔG°:
-2.49±0.01 (kcal/mole)
pH:
5.0000±0.0000
Log10Kb:
0
Temperature:
298.0000±0.0000 (K)
ΔH° :
-3.19±0.03 (kJ/mole)
ΔS° :
-0±0 (kJ/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 Soc 117:8830-40 (1995)  
Cell React
Source:
7585-39-9 (Sigma)
Name:
BDBM11
Synonyms:
betadex | beta-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C42H70O35
Mol. Mass.:
1134.37
SMILES:
OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[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
Structure:
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Syringe React
Source:
2039-67-0 (Aldrich)
Name:
BDBM36018
Synonyms:
(3-methoxyphenethyl)ammonium
Type:
Guest
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
COc1cccc(CC[NH3+])c1
Structure:
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