Basic information
- CAS
6736-02-3- Standard SMILES
ON=Cc1cc[n+](CCC[n+]2ccc(C=NO)cc2)cc1- InChIKey
LJYGXPCCGGSATE-UHFFFAOYSA-P- Molecular formula
- C15H18N4O2+2
- Average molar mass
- 286.33 g/mol
- Monoisotopic mass
- 286.14297583
Overview
See also: Trimedoxime (preferred); Trimedoxime Bromide (active moiety of).
Names & identifiers
- Preferred name
- Dipyroxim
- IUPAC
- N-[[1-[3-[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Names & synonyms
DipyroximSCHEMBL8518721
Database identifiers
- CAS
6736-02-3- PubChem CID
- 5969
- Nikkaji
- J21.380B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 2
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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