skatole

CAS:
Other names:
SMILES: Cc1c[nH]c2ccccc12

Properties

MW HBA HBD LogP TPSA Rot. Comp. Fsp3C Brutto formula
131.17 0 1 2.48 15.79 0 35 0.11 C9H9N

Availability

Suppliers Supplier IDs Storage Storage ID Quantity Class Added
SF_C451 None Jan. 1, 2023

Bar codes

Plate barcode Sample barcode

PAINS

Identified PAINS
Not checked

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[skatole] 0.61 -0.22 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[b-Cyclodextrin](1).[skatole] 2.21 0.11 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[g-Cyclodextrin](1).[skatole] 1.47 0.46 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[skatole] 2.24 0.84 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[Sulfated-a-Cyclodextrin](1).[skatole] 1.19 0.79 8.5 22.0 affinity capillary electrophoresis Daniel W. Armstrong 2006
[Sulfated-a-Cyclodextrin](1).[skatole] 1.14 0.72 4.5 22.0 affinity capillary electrophoresis Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[skatole] 1.28 8.5 22.0 affinity capillary electrophoresis Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[skatole] 1.35 0.60 4.5 22.0 affinity capillary electrophoresis Daniel W. Armstrong 2006
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[skatole] 1.86 0.63 8.5 22.0 affinity capillary electrophoresis Daniel W. Armstrong 2006
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[skatole] 1.94 1.39 4.5 22.0 affinity capillary electrophoresis Daniel W. Armstrong 2006
Comment