BDBM36011 4-benzylpiperidine
SMILES: C(C1CC[NH2+]CC1)c1ccccc1
InChI Key: InChIKey=ABGXADJDTPFFSZ-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![]() | BDBM36011![]() | CHEBI KEGG MMDB PC cid PC sid PDB | PC cid PC sid | -4.50 | -1.22 | -3.30 | 3.30 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM4![]() | BDBM36011![]() | CHEBI MMDB PC cid PC sid PDB | PC cid PC sid | -2.25 | 2.48 | -4.75 | 1.65 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) |