Reaction Details  Report a problem with these data
Cell Reactant:
BDBM4
Syringe Reactant:
BDBM36198
Meas. Tech.:
ITC
Entry Date.:
11/12/10
ΔG°:
-6.59±0.16 (kJ/mole)
pH:
6.9±0
Log10Kb:
-0
Temperature:
298.15±0 (K)
ΔH° :
-9.1±0.4 (kJ/mole)
ΔS° :
-0.0084±0.0005 (kJ/mole-K)
Comments:
First trial
Citation
 Rekharsky, MV; Mayhew, MP; Goldberg, RN; Ross, PD; Yamashoji, Y; Inoue, Y Thermodynamic and Nuclear Magnetic Resonance Study of the Reactions of α- and β-Cyclodextrin with Acids, Aliphatic Amines, and Cyclic Alcohols J Phys Chem B 101:87-100 (1997)    Article
Cell React
Source:
10016-20-3
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.:
972.8436
SMILES:
[H]C12OC(CO)C([H])(OC3([H])OC(CO)C([H])(OC4([H])OC(CO)C([H])(OC5([H])OC(CO)C([H])(OC6([H])OC(CO)C([H])(OC7([H])OC(CO)C([H])(O1)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O
Structure:
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Syringe React
Name:
BDBM36198
Synonyms:
1-butylamine
Type:
Guest
Emp. Form.:
C4H12N
Mol. Mass.:
74.1442
SMILES:
CCCC[NH3+]
Structure:
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