Basic information
- CAS
112261-23-1- Standard SMILES
CCCC[n+]1cc2ccccc2c2ccccc21- InChIKey
ISCIEEORSMVTNY-UHFFFAOYSA-N- Molecular formula
- C17H18N+
- Average molar mass
- 236.33 g/mol
- Monoisotopic mass
- 236.14392458
Names & identifiers
- Preferred name
- 5-Butylphenanthridin-5-ium
- IUPAC
- 5-butylphenanthridin-5-ium
Names & synonyms
112261-23-15-butylphenanthridin-5-ium5-ButylphenanthridiniumDTXSID50920709
Database identifiers
- CAS
112261-23-1- PubChem CID
- 147264
- DTXSID
DTXSID50920709
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 1
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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