Basic information
- CAS
62438-76-0- Standard SMILES
CC(C[N+](C)(C)C)OC(=O)c1ccccc1.[I-]- InChIKey
APPCGOGGJODGIM-UHFFFAOYSA-M- Molecular formula
- C13H20INO2
- Average molar mass
- 349.21 g/mol
- Monoisotopic mass
- 349.05388
Names & identifiers
- Preferred name
- 2-(Benzoyloxy)-N,N,N-trimethylpropan-1-aminium iodide
- IUPAC
- 2-benzoyloxypropyl(trimethyl)azanium iodide
Names & synonyms
62438-76-0DTXSID709780052-(benzoyloxy)-N,N,N-trimethylpropan-1-aminium iodideRefChem:1061460DTXCID701405335cis-2-N-Benzyloxycyclopropyl-N,N,N-trimethylammonium iodideAMMONIUM, cis-(2-N-BENZYLOXYCYCLOPROPYL)-N,N,N-TRIMETHYL-, IODIDE
Database identifiers
- CAS
62438-76-0- PubChem CID
- 44050
- DTXSID
DTXSID70978005
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…