4,4'-(Hexane-1,6-diyl)bis(1,1-dimethylpiperazin-1-ium) diiodide
Basic information
- CAS
106300-05-4- Standard SMILES
C[N+]1(C)CCN(CCCCCCN2CC[N+](C)(C)CC2)CC1.[I-].[I-]- InChIKey
PAHOZSMDIGYFTB-UHFFFAOYSA-L- Molecular formula
- C18H40I2N4
- Average molar mass
- 566.3 g/mol
- Monoisotopic mass
- 566.13424
Names & identifiers
- Preferred name
- 4,4'-(Hexane-1,6-diyl)bis(1,1-dimethylpiperazin-1-ium) diiodide
- IUPAC
- 4-[6-(4,4-dimethylpiperazin-4-ium-1-yl)hexyl]-1,1-dimethylpiperazin-1-ium diiodide
Names & synonyms
106300-05-4DTXSID109099794,4'-(Hexane-1,6-diyl)bis(1,1-dimethylpiperazin-1-ium) diiodideRefChem:1069254DTXCID901339037Piperazinium, 4,4'-hexamethylenebis(1,1-dimethyl-, diiodideSD 211-054,4'-Hexamethylenebis(1,1-dimethylpiperazinium iodide)
Database identifiers
- CAS
106300-05-4- PubChem CID
- 3065014
- DTXSID
DTXSID10909979
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 275
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Related reactions
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Compound notes
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