Basic information
- CAS
102585-75-1- Standard SMILES
C[N+](C)(C)CCCN1CC2CCCC(C1)[N+]2(C)C.[I-].[I-]- InChIKey
KCMVYDRIOIJSMW-UHFFFAOYSA-L- Molecular formula
- C15H33I2N3
- Average molar mass
- 509.25 g/mol
- Monoisotopic mass
- 509.07639
Names & identifiers
- Preferred name
- 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9-dimethyl-3-(3-(trimethylammonio)propyl)-, diiodide
- IUPAC
- 3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl-trimethylazanium diiodide
Names & synonyms
102585-75-13-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9-dimethyl-3-(3-(trimethylammonio)propyl)-, diiodide9,9-Dimethyl-3-(3-(trimethylammonio)propyl)-3-aza-9-azoniabicyclo(3.3.1)nonane diiodide3-(3-Dimethylaminopropyl)-9,9-dimethyl-3-aza-9-azoniabicyclo(3.3.1)nonaneiodide methiodideDimethiodide of 3-(gamma-dimethylaminopropyl)-9-methyl-3,9-diazabicyclo(3,3,1)nonaneRefChem:276727DTXSID909078779,9-Dimethyl-3-[3-(trimethylazaniumyl)propyl]-3,9-diazabicyclo[3.3.1]nonan-9-ium diiodide
Database identifiers
- CAS
102585-75-1- PubChem CID
- 59641
- DTXSID
DTXSID90907877
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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