Reaction Details  Report a problem with these data
Cell Reactant:
BDBM4
Syringe Reactant:
BDBM7887
Meas. Tech.:
ITC
Entry Date.:
2010-10-07
ΔG°:
-10.1500±0.2200 (kJ/mole)
pH:
10.0000±0.0000
Log10Kb:
0
Temperature:
298.0000±0.0000 (K)
ΔH° :
-28.9000±1.9000 (kJ/mole)
ΔS° :
-0.0631±0.0071 (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:
10016-20-3 (Sigma)
Name:
BDBM4
Synonyms:
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}.2^{23,26}]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol | alpha-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C36H60O30
Mol. Mass.:
972.32
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]1[C@H](O)[C@H]2O)[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:
Search PDB for entries with ligand similarity:
Syringe React
Source:
4238-71-5 (Aldrich)
Name:
BDBM7887
Synonyms:
1-benzylimidazole | 1-Benzylimidazole (BI) | CHEMBL14192 | 1-benzyl-1H-imidazole | US9138393, 1-benzylimidazole
Type:
Small organic molecule
Emp. Form.:
C10H10N2
Mol. Mass.:
158.08
SMILES:
c1ccc(cc1)Cn2ccnc2
Structure:
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