Basic information
- CAS
27946-71-0- Standard SMILES
COc1ccccc1CCC[N+](C)(C)C.[I-]- InChIKey
ACMUWHPYKNOYII-UHFFFAOYSA-M- Molecular formula
- C13H22INO
- Average molar mass
- 335.22 g/mol
- Monoisotopic mass
- 335.07461
Names & identifiers
- Preferred name
- Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1)
- IUPAC
- 3-(2-methoxyphenyl)propyl-trimethylazanium iodide
Names & synonyms
27946-71-0RefChem:1078591Benzenepropanaminium, 2-methoxy-N,N,N-trimethyl-, iodide (1:1)(3-(o-Methoxyphenyl)propyl)trimethylammonium iodideAMMONIUM, (3-(o-METHOXYPHENYL)PROPYL)TRIMETHYL-, IODIDEDTXSID809506353-(2-methoxyphenyl)-N,N,N-trimethylpropan-1-aminium iodide
Database identifiers
- CAS
27946-71-0- PubChem CID
- 34073
- DTXSID
DTXSID80950635
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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