1,1'-Bis(4-(dimethylamino)phenyl)-[4,4'-bipyridine]-1,1'-diium chloride
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CAS Number 1350324-34-3
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Catalog Number io-406960
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Molecular Weight 467.4000
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SMILES
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| 1 | 1,1'-Bis(4-(dimethylamino)phenyl)-[4,4'-bipyridine]-1,1'-diium chloride |
| 2 | H40875 |
| Molecular Formula | C26H28Cl2N4 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 467.4000 |
| InChIKey | CRNHOXVVKKGXTB-UHFFFAOYSA-L |
| InChI | InChI=1S/C26H28N4.2ClH/c1-27(2)23-5-9-25(10-6-23)29-17-13-21(14-18-29)22-15-19-30(20-16-22)26-11-7-24(8-12-26)28(3)4;;/h5-20H,1-4H3;2*1H/q+2;;/p-2 |
| XLogP | 0.0000 |
| ExactMass | 466.1691 |
| MonoisotopicMass | 466.1691 |
| TPSA | 14.2000 |
| Complexity | 443.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 5 |
| HeavyAtomCount | 32 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 3 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |
