dodine

Identification (Source:EPA,EU)

ID 390
Name dodine
CAS 2439-10-3
IUPAC 1-dodecylguanidinium acetate
Inchi InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)
CIPAC 101
EPA Code 044301
Formula C15H33N3O2
SMILES O=C(O)C.N(=C(\N)N)\CCCCCCCCCCCC
Status Approved

Classification

Mode of Action Systemic with protectant and eradicant action
Pesticide Type Fungicide
Chemical Group Guanidine
Classification aliphatic nitrogen fungicides

Properties (Source:PubChem)

Molecular Weight 287.44
Physical State Colourless to yellow fine waxy powder. Product may be liquid.
AlogP 3.992
H-Bond Donor 3
H-Bond Acceptor 5
Surface Area 348.53
Polar Surface Area 101.69

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

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 0.0028 mg l-1
Aquatic crustaceans Acute 96 hour LC50 1.7 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.0044 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.018 mg l-1
Birds Acute LD50 857 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 171 mg kg-1
Earthworms Acute 14 day LD50 547 mg kg-1
Fish Acute 96 hour LC50 0.57 mg l-1
Fish Chronic 21 day NOEC 0.099 mg l-1
Honeybees Acute 48 hour LD50 > 100 μg bee-1
Mammals Acute oral LD50 851 mg kg-1
Mammals Short term dietary NOEL 800 ppm diet
Sediment dwelling organisms Chronic 28 day NOEC, sediment 3.2 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 16

Related targets

Target Name RScore (About this table)
CD19 3(0,0,0,3) Details
cytochrome P450 (protein family or complex) 3(0,0,0,3) Details
muscles 3(0,0,0,3) Details
CD4 2(0,0,0,2) Details
myeloperoxidase 2(0,0,0,2) Details
CD8 2(0,0,0,2) Details
alpha 1 microglobulin 2(0,0,0,2) Details
acid phosphatase 2(0,0,0,2) Details
albumin 2(0,0,0,2) Details
beta glucuronidase 2(0,0,0,2) Details
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