BDBM36012 (2,5-dimethoxyphenethyl)ammonium
SMILES: COc1ccc(OC)c(CC[NH3+])c1
InChI Key: InChIKey=WNCUVUUEJZEATP-UHFFFAOYSA-O
Data: 4 ITC
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BDBM11 | BDBM36012 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -2.17 | 0.0712 | -2.24 | 1.59 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM11 | BDBM36012 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -2.14 | 0.313 | -2.44 | 1.57 | 5 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM4 | BDBM36012 | CHEBI MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -2.10 | 2.39 | -4.49 | 1.54 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM4 | BDBM36012 | CHEBI MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -1.95 | 1.29 | -3.25 | 1.43 | 5 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) |