Basic information
- CAS
17140-07-7- Standard SMILES
C[N+](C)(C)CCOC(=O)CCCCCCCCC(=O)OCC[N+](C)(C)C.[I-].[I-]- InChIKey
UAFKCVXOLXSYGP-UHFFFAOYSA-L- Molecular formula
- C20H42I2N2O4
- Average molar mass
- 628.4 g/mol
- Monoisotopic mass
- 628.1234
Names & identifiers
- Preferred name
- Sebacoyldicholine diiodide
- IUPAC
- trimethyl-[2-[10-oxo-10-[2-(trimethylazaniumyl)ethoxy]decanoyl]oxyethyl]azanium diiodide
Names & synonyms
Choline iodide sebacateSebacoyldicholine diiodideLUK3H30LMTUNII-LUK3H30LMTSebacic acid, ester with choline iodideEthanaminium, 2,2'-((1,10-dioxo-1,10-decanediyl)bis(oxy))bis(N,N,N-trimethyl-, diiodide17140-07-7SCHEMBL15378186
Database identifiers
- CAS
17140-07-7- PubChem CID
- 89896060
- UNII
- LUK3H30LMT
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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