Basic information
- CAS
6458-13-5- Standard SMILES
CCCCCCCCC=CCCCCCCCC[N+](C)(C)CC.[Br-]- InChIKey
BFDFJIJWIIIZJB-UHFFFAOYSA-M- Molecular formula
- C22H46BrN
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 403.28136
Names & identifiers
- Preferred name
- 9-Octadecen-1-aminium, N-ethyl-N,N-dimethyl-, bromide (1:1)
- IUPAC
- ethyl-dimethyl-octadec-9-enylazanium bromide
Names & synonyms
6458-13-5RefChem:10750239-OCTADECEN-1-AMINIUM, N-ETHYL-N,N-DIMETHYL-, BROMIDE (1:1)Ethyl dimethyl oleyl ammonium bromideSCHEMBL1844416BFDFJIJWIIIZJB-UHFFFAOYSA-MNS00046010N-Ethyl-N,N-dimethyloctadec-9-en-1-aminium bromide
Database identifiers
- CAS
6458-13-5- PubChem CID
- 22958
- DTXSID
DTXSID3041956- EC Number
- 229-265-2
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 17
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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