Basic information
- CAS
102612-68-0- Standard SMILES
C[N+]1(C)C2CCCC1CN(CCCCCCN1CC3CCCC(C1)[N+]3(C)C)C2.[I-].[I-]- InChIKey
IELBHPWJHVIEKM-UHFFFAOYSA-L- Molecular formula
- C24H48I2N4
- Average molar mass
- 646.5 g/mol
- Monoisotopic mass
- 646.19684
Names & identifiers
- Preferred name
- 3-Aza-9-azoniabicyclo(3.3.1)nonane, 3,3'-hexamethylenebis(9,9-dimethyl-, diiodide
- IUPAC
- 3-[6-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)hexyl]-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide
Names & synonyms
3-Aza-9-azoniabicyclo(3.3.1)nonane, 3,3'-hexamethylenebis(9,9-dimethyl-, diiodide102612-68-01,6-Bis(9-methyl-3,9-diazabicyclo-(3,3,1)-nonane-3)hexane dimethiodide3,3'-Hexamethylenebis(9,9-dimethyl-3-aza-9-azobicyclo(3.3.1)nonane) diiodideRefChem:276709DTXSID409079233,3'-(Hexane-1,6-diyl)bis(9,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-9-ium) diiodide
Database identifiers
- CAS
102612-68-0- PubChem CID
- 59684
- DTXSID
DTXSID40907923
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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