Basic information
- CAS
50938-57-3- Standard SMILES
CCCCCCCCCCCC[N+]12CCN(CC1)CC2.[Br-]- InChIKey
BXUXSYUFVQOCNP-UHFFFAOYSA-M- Molecular formula
- C18H37BrN2
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 360.21401
Names & identifiers
- Preferred name
- 1-Dodecyl-1,4-diazabicyclo[2.2.2]octan-1-ium bromide
- IUPAC
- 1-dodecyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide
Names & synonyms
50938-57-34-Aza-1-azoniabicyclo[2.2.2]octane, 1-dodecyl-, bromide1-DODECYL-1,4-DIAZABICYCLO[2.2.2]OCTAN-1-IUM BROMIDEDTXSID405118671-dodecyl-4-aza-1-azoniabicyclo[2.2.2]octane;bromide
Database identifiers
- CAS
50938-57-3- PubChem CID
- 12866360
- DTXSID
DTXSID40511867
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…