4,4'-Bipyridinium, 1,1'-dimethyl-, bis(dimethyl phosphate)
Basic information
- CAS
21000-42-0- Standard SMILES
COP(=O)([O-])OC.C[n+]1ccc(-c2cc[n+](C)cc2)cc1- InChIKey
QMOPFCUJPOQWSX-UHFFFAOYSA-M- Molecular formula
- C14H20N2O4P+
- Average molar mass
- 311.29 g/mol
- Monoisotopic mass
- 311.11606912
Names & identifiers
- Preferred name
- 4,4'-Bipyridinium, 1,1'-dimethyl-, bis(dimethyl phosphate)
- IUPAC
- dimethyl phosphate;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium
- English name
- dipyridyl phosphate
- Molecular formula
- C14H20N2O4P+
- Molecular weight
- 311.3
Names & synonyms
Dipyridyl phosphate21000-42-0Bis(O,O-dimethylphosphate)-N,N'-dimethyl-4,4'-dipyridylRefChem:9118144,4'-Bipyridinium, 1,1'-dimethyl-, bis(dimethyl phosphate)Dipyridyl hydrogen phosphate4,4'-BIPYRIDINIUM, 1,1'-DIMETHYL-, BIS(DIMETHYLPHOSPHATE)dimethyl phosphate;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium
Database identifiers
- CAS
21000-42-0- PubChem CID
- 30437
Properties
Computed structural properties
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 1
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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