iminoctadine

Identification (Source:EPA,EU)

ID 391
Name iminoctadine
CAS 13516-27-3
IUPAC
Inchi InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)
CIPAC 531
EPA Code 498200
Formula C18H41N7
SMILES N(=C(\N)N)\CCCCCCCCNCCCCCCCC/N=C(\N)N
Status Not Approved

Classification

Mode of Action Protectant
Pesticide Type Fungicide
Chemical Group Guanidine
Classification aliphatic nitrogen fungicides

Properties (Source:PubChem)

Molecular Weight 355.57
Physical State Colourless crystals
AlogP 2.792
H-Bond Donor 5
H-Bond Acceptor 7
Surface Area 419.47
Polar Surface Area 140.82

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
Birds Acute LD50 985 mg kg-1
Mammals Acute oral LD50 300 mg kg-1

Related targets

Target Name RScore (About this table)
polyamine oxidase 83(1,1,1,3) Details
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