BDBM36013 (3,4-dimethoxyphenethyl)ammonium
SMILES: COc1ccc(CC[NH3+])cc1OC
InChI Key: InChIKey=ANOUKFYBOAKOIR-UHFFFAOYSA-O
Data: 2 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 | BDBM36013 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -1.56 | -1.07 | -0.478 | 1.14 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM4 | BDBM36013 | CHEBI MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -1.22 | 0.932 | -2.15 | 0.898 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) |