Basic information
- CAS
17579-39-4- Standard SMILES
CC[N+](C)(CC)c1cccc(OC(C)=O)c1.[I-]- InChIKey
CHYYNAHGXXLTHP-UHFFFAOYSA-M- Molecular formula
- C13H20INO2
- Average molar mass
- 349.21 g/mol
- Monoisotopic mass
- 349.05388
Names & identifiers
- Preferred name
- Ammonium, (3-acetoxyphenyl)diethylmethyl-, iodide
- IUPAC
- (3-acetyloxyphenyl)-diethyl-methylazanium iodide
Names & synonyms
17579-39-4AMMONIUM, (3-ACETOXYPHENYL)DIETHYLMETHYL-, IODIDERefChem:10767493-Acetoxyphenyldiethylmethylammonium iodideRo 2-2651DTXSID309387063-(acetyloxy)-N,N-diethyl-N-methylanilinium iodide
Database identifiers
- CAS
17579-39-4- PubChem CID
- 28611
- DTXSID
DTXSID30938706
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
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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