DIDECYLDIMETHYLAMMONIUM(2,4-DICHLOROPHENOXY)ACETATE

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Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key QATORPWGMHIFSU-UHFFFAOYSA-M
Smiles CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[O-]C(=O)COc1ccc(Cl)cc1Cl
InChI
InChI=1S/C22H48N.C8H6Cl2O3/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;9-5-1-2-7(6(10)3-5)13-4-8(11)12/h5-22H2,1-4H3;1-3H,4H2,(H,11,12)/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H53Cl2NO3
Molecular Weight 546.65
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None
Assay Description Organism Bioactivity Reference
Cold crystallization temperature of the compound None -39.0 degrees C
Decomposition temperature of the compound None 260.0 degrees C
Decomposition temperature of 5 % of the compound None 208.0 degrees C
Melting point of the compound None -3.0 degrees C
Glass transition temperature of the compound None -50.0 degrees C
Herbicidal activity against Capsella bursa-pastoris assessed as weed control at 0.02 M measured after 30 days of treatment relative to control Capsella bursa-pastoris 100.0 %
Herbicidal activity against Capsella bursa-pastoris assessed as weed control at 0.01 M measured after 30 days of treatment relative to control Capsella bursa-pastoris 100.0 %
Herbicidal activity against Capsella bursa-pastoris assessed as weed control at 0.02 M measured after 6 days of treatment relative to control Capsella bursa-pastoris 99.0 %
Herbicidal activity against Capsella bursa-pastoris assessed as weed control at 0.01 M measured after 6 days of treatment relative to control Capsella bursa-pastoris 81.0 %
Herbicidal activity against Thlaspi arvense assessed as weed control at 0.02 M measured after 30 days of treatment relative to control Thlaspi arvense 100.0 %
Herbicidal activity against Thlaspi arvense assessed as weed control at 0.01 M measured after 30 days of treatment relative to control Thlaspi arvense 100.0 %
Herbicidal activity against Thlaspi arvense assessed as weed control at 0.02 M measured after 6 days of treatment relative to control Thlaspi arvense 96.0 %
Herbicidal activity against Thlaspi arvense assessed as weed control at 0.01 M measured after 6 days of treatment relative to control Thlaspi arvense 82.0 %
Herbicidal activity against Chenopodium album assessed as weed control at 0.02 M measured after 30 days of treatment relative to control Chenopodium album 100.0 %
Herbicidal activity against Chenopodium album assessed as weed control at 0.01 M measured after 30 days of treatment relative to control Chenopodium album 100.0 %
Herbicidal activity against Chenopodium album assessed as weed control at 0.02 M measured after 6 days of treatment relative to control Chenopodium album 98.0 %
Herbicidal activity against Chenopodium album assessed as weed control at 0.01 M measured after 6 days of treatment relative to control Chenopodium album 89.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2287056
PubChem 59052024
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