heptan-3-one
- CAS:
- Other names:
- SMILES: CCCCC(=O)CC
Properties
MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
---|---|---|---|---|---|---|---|---|
114.19 | 1 | 0 | 2.16 | 17.07 | 4 | 11 | 0.86 | C7H14O |
Availability
Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
---|---|---|---|---|---|---|
JN_271 | None | Jan. 1, 2023 |
Bar codes
Plate barcode | Sample barcode |
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PAINS
Identified PAINS |
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Not checked |
Supramolecules
Name | log K | SD | pH | T(°C) | Method | Ref |
---|---|---|---|---|---|---|
[a-Cyclodextrin](1).[heptan-3-one] | 2.22 | 0.44 | 11.6 | 25.0 | inhibition kinetics method, stopped-flow spectroscopy | Oswald S.Tee 1996 |
[b-Cyclodextrin](1).[heptan-3-one] | 2.02 | 0.85 | 11.6 | 25.0 | inhibition kinetics method, stopped-flow spectroscopy | Oswald S.Tee 1996 |
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[heptan-3-one] | 1.93 | 0.47 | 11.6 | 25.0 | inhibition kinetics method, stopped-flow spectroscopy | Oswald S.Tee 1996 |