Basic information
- CAS
73664-05-8- Standard SMILES
CCCC(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.[I-]- InChIKey
IWFHTCWXMSUCRH-UHFFFAOYSA-M- Molecular formula
- C18H30INO2
- Average molar mass
- 419.3 g/mol
- Monoisotopic mass
- 419.13213
Names & identifiers
- Preferred name
- Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 2-phenylvalerate
- IUPAC
- diethyl-methyl-[2-(2-phenylpentanoyloxy)ethyl]azanium iodide
Names & synonyms
73664-05-8Diethyl(2-hydroxyethyl)methyl ammonium iodide, 2-phenylvalerateAMMONIUM, DIETHYL(2-HYDROXYETHYL)METHYL-, IODIDE, 2-PHENYLVALERATEalpha-Phenyl-valerate du diethylamino-ethanol-iodomethylate [French]alpha-Phenyl-valerate du diethylamino-ethanol-iodomethylateRefChem:319231DTXSID10994466N,N-Diethyl-N-methyl-2-[(2-phenylpentanoyl)oxy]ethan-1-aminium iodide
Database identifiers
- CAS
73664-05-8- PubChem CID
- 52015
- DTXSID
DTXSID10994466
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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