BDBM36018 (3-methoxyphenethyl)ammonium
SMILES: COc1cccc(CC[NH3+])c1
InChI Key: InChIKey=WJBMRZAHTUFBGE-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 | BDBM36018 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -2.57 | 0.242 | -2.79 | 1.88 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM11 | BDBM36018 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -2.48 | 0.690 | -3.18 | 1.82 | 5 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM4 | BDBM36018 | CHEBI MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -1.68 | 1.81 | -3.49 | 1.23 | 5 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM4 | BDBM36018 | CHEBI MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -1.85 | 2.70 | -4.54 | 1.35 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) |