Basic information
- CAS
4939-44-0- Standard SMILES
CC1=CC(=NN=c2cc(C)n([O-])c(C)c2)C=C(C)[N+]1=O- InChIKey
PDDKFYBAZUFIBF-UHFFFAOYSA-N- Molecular formula
- C14H16N4O2
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.12732577
Names & identifiers
- Preferred name
- N-[(2,6-dimethyl-1-oxopyridin-1-ium-4-ylidene)amino]-2,6-dimethyl-1-oxidopyridin-4-imine
- IUPAC
- N-[(2,6-dimethyl-1-oxopyridin-1-ium-4-ylidene)amino]-2,6-dimethyl-1-oxidopyridin-4-imine
Names & synonyms
4939-44-0NCIOpen2_004022N-[(2,6-dimethyl-1-oxopyridin-1-ium-4-ylidene)amino]-2,6-dimethyl-1-oxidopyridin-4-imineDTXSID10398288NSC76493NSC-764932, 4,4'-azodi-, 1,1'-dioxide4-[(2,6-Dimethyl-1-oxopyridin-1-ium-4(1H)-ylidene)hydrazinylidene]-2,6-dimethylpyridin-1(4H)-olate
Database identifiers
- CAS
4939-44-0- PubChem CID
- 3967459
- DTXSID
DTXSID10398288
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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