dinitramine

Identification (Source:EPA,EU)

ID 916
Name dinitramine
CAS 29091-05-2
IUPAC
Inchi InChI=1S/C11H13F3N4O4/c1-3-16(4-2)9-7(17(19)20)5-6(11(12,13)14)8(15)10(9)18(21)22/h5H,3-4,15H2,1-2H3
CIPAC 8118
EPA Code 102301
Formula C11H13F3N4O4
SMILES FC(F)(F)c1cc(c(c([N+]([O-])=O)c1N)N(CC)CC)[N+]([O-])=O
Status Not Approved

Classification

Mode of Action Selective, absorbed by roots and shoots
Pesticide Type Herbicide
Chemical Group Dinitroaniline
Classification dinitroaniline herbicides
phenylenediamine herbicides

Properties (Source:PubChem)

Molecular Weight 322.24
Physical State Yellow crystals
AlogP 2.674
H-Bond Donor 1
H-Bond Acceptor 6
Surface Area 307.33
Polar Surface Area 120.9

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 1200 mg kg-1
Fish Acute 96 hour LC50 0.753 mg l-1
Mammals Acute oral LD50 > 3000 mg kg-1
Mammals Short term dietary NOEL 2000 ppm diet
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 235

Related targets

Target Name RScore (About this table)
ATPase 7(0,0,1,2) Details
alpha tubulin 3(0,0,0,3) Details
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