4-(Dimethylamino)-1-(2,4-dinitrophenyl)pyridin-1-ium chloride
Basic information
- CAS
110465-52-6- Standard SMILES
CN(C)c1cc[n+](-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1.[Cl-]- InChIKey
CZJHQCIINFVVPU-UHFFFAOYSA-M- Molecular formula
- C13H13ClN4O4
- Average molar mass
- 324.72 g/mol
- Monoisotopic mass
- 324.0625326
Names & identifiers
- Preferred name
- 4-(Dimethylamino)-1-(2,4-dinitrophenyl)pyridin-1-ium chloride
- IUPAC
- 1-(2,4-dinitrophenyl)-N,N-dimethylpyridin-1-ium-4-amine chloride
Names & synonyms
110465-52-6DTXSID705455994-(Dimethylamino)-1-(2,4-dinitrophenyl)pyridin-1-ium chlorideAKOS005066824
Database identifiers
- CAS
110465-52-6- PubChem CID
- 13637282
- DTXSID
DTXSID70545599
Properties
Computed structural properties
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 385
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Compound notes
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