Basic information
- CAS
215180-87-3- Standard SMILES
CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)Cc1ccccc1- InChIKey
FFWCJOHKKDJFSE-UHFFFAOYSA-N- Molecular formula
- C55H106N+
- Average molar mass
- 781.4 g/mol
- Monoisotopic mass
- 780.83252739
Names & identifiers
- Preferred name
- N-Benzyl-N,N-dihexadecylhexadecan-1-aminium
- IUPAC
- benzyl(trihexadecyl)azanium
Names & synonyms
215180-87-3N-Benzyl-N,N-dihexadecylhexadecan-1-aminiumSCHEMBL15889249DTXSID00855193
Database identifiers
- CAS
215180-87-3- PubChem CID
- 71446830
- DTXSID
DTXSID00855193- Nikkaji
- J233.915C
Properties
Computed structural properties
- XLogP
- 25
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 47
- Heavy atoms
- 56
- Formal charge
- 1
- Complexity
- 629
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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