butralin

Identification (Source:EPA,EU)

ID 914
Name butralin
CAS 33629-47-9
IUPAC
Inchi InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3
CIPAC 504
EPA Code 106501
Formula C14H21N3O4
SMILES CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]
Status Not Approved

Classification

Mode of Action Selective absorbed by germinating seedlings
Pesticide Type Herbicide, Plant growth regulator
Chemical Group Dinitroaniline
Classification dinitroaniline herbicides
growth inhibitors

Properties (Source:PubChem)

Molecular Weight 295.33
Physical State Orange crystalline solid
AlogP 4.077
H-Bond Donor 1
H-Bond Acceptor 5
Surface Area 321.4
Polar Surface Area 103.67

Structure



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3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Algae Acute 72 hour EC50, growth 0.12 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.061 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.079 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.12 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.15 mg l-1
Birds Acute LD50 > 2250 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 24.9 mg kg-1
Earthworms Acute 14 day LD50 > 1000 mg kg-1
Fish Acute 96 hour LC50 0.37 mg l-1
Fish Chronic 21 day NOEC 0.044 mg l-1
Honeybees Acute 48 hour LD50 95.7 μg bee-1
Mammals Acute oral LD50 1049 mg kg-1
Mammals Short term dietary NOEL 10 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 12.5 mg kg-1
Bio-concentration factor CT50 7 days
Bio-concentration factor BCF 1950

Related targets

Target Name RScore (About this table)
alpha tubulin 3(0,0,0,3) Details
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