Choline, dibutyl-, iodide
Basic information
- CAS
17896-02-5- Standard SMILES
CCCC[N+](C)(CCO)CCCC.[I-]- InChIKey
OBLPYMYMWAFWEK-UHFFFAOYSA-M- Molecular formula
- C11H26INO
- Average molar mass
- 315.23 g/mol
- Monoisotopic mass
- 315.10591
Names & identifiers
- Preferred name
- Choline, dibutyl-, iodide
- IUPAC
- dibutyl-(2-hydroxyethyl)-methylazanium iodide
Names & synonyms
Choline, dibutyl-, iodide17896-02-5RefChem:1081492Dibutylcholine iodideAmmonium, dibutyl(2-hydroxyethyl)methyl-, iodideDTXSID509391341-Butanaminium, N-butyl-N-(2-hydroxyethyl)-N-methyl-, iodideN-Butyl-N-(2-hydroxyethyl)-N-methylbutan-1-aminium iodide
Database identifiers
- CAS
17896-02-5- PubChem CID
- 205386
- DTXSID
DTXSID50939134
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 107
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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