Basic information
- CAS
20256-55-7- Standard SMILES
CCCCCCCC[N+](C)(C)CCCCCCCC- InChIKey
MELGLHXCBHKVJG-UHFFFAOYSA-N- Molecular formula
- C18H40N+
- Average molar mass
- 270.5 g/mol
- Monoisotopic mass
- 270.31607528
Names & identifiers
- Preferred name
- Dioctyldimonium
- IUPAC
- dimethyl(dioctyl)azanium
Names & synonyms
DioctyldimoniumdimethyldioctylammoniumDioctyldimonium ionDioctyldimonium cationAmmonium, dimethyldioctyl-1-Octanaminium, N,N-dimethyl-N-octyl-UNII-3535D7RPGW3535D7RPGWDTXSID60174099DIMETHYLDIOCTYLAZANIUMRefChem:134504DTXCID2096590
Show more names
20256-55-7NCGC00182056-02NCGC00182056-03n,n-dimethyl-n-octyloctan-1-aminiumSCHEMBL345597CHEMBL2366023DB13970NCGC00182056-04
Database identifiers
- CAS
20256-55-7- PubChem CID
- 62582
- DTXSID
DTXSID60174099- ChEMBL
CHEMBL2366023- UNII
- 3535D7RPGW
- Nikkaji
- J106.531I
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 1
- Complexity
- 157
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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