adamantanecarboxylic acid
- CAS:
- Other names:
- SMILES: OC(=O)C12CC3CC(CC(C3)C1)C2
Properties
| MW |
HBA |
HBD |
LogP |
TPSA |
Rot. |
Comp. |
Fsp3C |
Brutto formula |
| 180.24 |
2 |
1 |
2.29 |
37.3 |
1 |
20 |
0.91 |
C11H16O2 |
Availability
| Suppliers |
Supplier IDs |
Storage |
Storage ID |
Quantity |
Class |
Added |
|
|
|
SF_C581 |
None |
|
Jan. 1, 2023 |
Bar codes
| Plate barcode |
Sample barcode |
|
|
PAINS
| Identified PAINS |
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
| [tetradecapeptidyl-b-CD](2).[adamantanecarboxylic acid] |
3.58 |
2.00 |
7.4 |
25.0 |
Isothermal titration calorymetry |
Antonio Vargas-Berenguel 2003 |
| [b-Cyclodextrin](1).[adamantanecarboxylic acid] |
4.60 |
|
7.4 |
25.0 |
Isothermal titration calorymetry |
Antonio Vargas-Berenguel 2003 |
| [b-Cyclodextrin](1).[adamantanecarboxylic acid] |
3.15 |
|
|
25.0 |
NMR spectroscopy |
Zdenek Tosner 2006 |
| [b-Cyclodextrin](1).[adamantanecarboxylic acid] |
4.28 |
|
8.5 |
25.0 |
microcalorimetry, pH potentiometry |
Maurice R. Eftink 1985 |
| [b-Cyclodextrin](1).[adamantanecarboxylic acid] |
4.52 |
|
7.22 |
25.0 |
microcalorimetry, pH potentiometry |
Maurice R. Eftink 1985 |
| [b-Cyclodextrin](1).[adamantanecarboxylic acid] |
5.46 |
|
4.08 |
25.0 |
microcalorimetry, pH potentiometry |
Maurice R. Eftink 1985 |