heptan-2-one
- CAS:
- Other names:
- SMILES: CCCCCC(C)=O
Properties
MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
---|---|---|---|---|---|---|---|---|
114.19 | 1 | 0 | 2.16 | 17.07 | 4 | 12 | 0.86 | C7H14O |
Availability
Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
---|---|---|---|---|---|---|
JN_267 | 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-2-one] | 2.55 | 0.71 | 11.6 | 25.0 | inhibition kinetics method, stopped-flow spectroscopy | Oswald S.Tee 1996 |
[b-Cyclodextrin](1).[heptan-2-one] | 2.32 | 0.97 | 11.6 | 25.0 | inhibition kinetics method, stopped-flow spectroscopy | Oswald S.Tee 1996 |
[b-Cyclodextrin](1).[heptan-2-one] | 2.31 | 1.31 | 25.0 | fluorescent probe method | Oswald S.Tee 1996 | |
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[heptan-2-one] | 2.18 | -0.16 | 11.6 | 25.0 | inhibition kinetics method, stopped-flow spectroscopy | Oswald S.Tee 1996 |