Basic information
- CAS
34958-55-9- Standard SMILES
CCCCCCCC[n+]1ccccc1- InChIKey
XDEQOBPALZZTCA-UHFFFAOYSA-N- Molecular formula
- C13H22N+
- Average molar mass
- 192.32 g/mol
- Monoisotopic mass
- 192.17522471
Names & identifiers
- Preferred name
- 1-Octylpyridinium
- IUPAC
- 1-octylpyridin-1-ium
Names & synonyms
1-octylpyridinium34958-55-9DTXSID90275740RefChem:232578DTXCID802271321-octylpyridin-1-iumCHEMBL544181-Octylpyridinium Iodide1-Octyl-pyridinium; iodideSCHEMBL92692SCHEMBL5026823CHEMBL1179020
Show more names
BDBM50143295
Database identifiers
- CAS
34958-55-9- PubChem CID
- 75675
- DTXSID
DTXSID90275740- ChEMBL
CHEMBL1179020、CHEMBL54418- Nikkaji
- J330.978I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 1
- Complexity
- 116
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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