Basic information
- CAS
2848-37-5- Standard SMILES
CC(=O)OCCCC[N+](C)(C)C.[I-]- InChIKey
CMFPZFAUZMKXCW-UHFFFAOYSA-M- Molecular formula
- C9H20INO2
- Average molar mass
- 301.17 g/mol
- Monoisotopic mass
- 301.05388
Names & identifiers
- Preferred name
- 4-(Acetyloxy)-N,N,N-trimethylbutan-1-aminium iodide
- IUPAC
- 4-acetyloxybutyl(trimethyl)azanium iodide
Names & synonyms
DTXSID409511684-(Acetyloxy)-N,N,N-trimethylbutan-1-aminium iodideRefChem:1070018DTXCID9013793002848-37-5WIN 5702(4-Hydroxybutyl)trimethylammonium iodide acetateAmmonium, (4-hydroxybutyl)trimethyl-, iodide, acetate
Database identifiers
- CAS
2848-37-5- PubChem CID
- 200850
- DTXSID
DTXSID40951168
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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