Basic information
- CAS
126428-94-2- Standard SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC- InChIKey
HUZVOFBJZJVUBY-UHFFFAOYSA-N- Molecular formula
- C55H114N+
- Average molar mass
- 789.5 g/mol
- Monoisotopic mass
- 788.89457907
Names & identifiers
- Preferred name
- 1-Octadecanaminium, N-methyl-N,N-dioctadecyl-
- IUPAC
- methyl(trioctadecyl)azanium
Names & synonyms
126428-94-21-Octadecanaminium, N-methyl-N,N-dioctadecyl-SCHEMBL332049DTXSID70401681N-Methyl-N,N-dioctadecyloctadecan-1-aminium
Database identifiers
- CAS
126428-94-2- PubChem CID
- 4296459
- DTXSID
DTXSID70401681- Nikkaji
- J437.587D
Properties
Computed structural properties
- XLogP
- 26.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 51
- Heavy atoms
- 56
- Formal charge
- 1
- Complexity
- 582
Related reactions
1 records
Compound notes
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