Basic information
- CAS
23884-64-2- Standard SMILES
CCCCCCCCCCCC[N+](CCO)(CCO)Cc1ccccc1- InChIKey
BTAFSOGRDASALR-UHFFFAOYSA-N- Molecular formula
- C23H42NO2+
- Average molar mass
- 364.6 g/mol
- Monoisotopic mass
- 364.32155458
Overview
Benzoxonium chloride is an aromatic amine.
Names & identifiers
- Preferred name
- Benzoxonium
- IUPAC
- benzyl-dodecyl-bis(2-hydroxyethyl)azanium
Names & synonyms
BenzoxoniumBenzoxonium ionBenzoxonium cationUNII-D95EHT6Y2LD95EHT6Y2L23884-64-2Benzyldodecylbis(2-hydroxyethyl)ammoniumAmmonium, benzyldodecylbis(2-hydroxyethyl)-Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxyethyl)-DTXSID90178585benzyl(dodecyl)bis(2-hydroxyethyl)azaniumRefChem:118767
Show more names
DTXCID50101076benzyl-dodecyl-bis(2-hydroxyethyl)azaniumn-benzyl-n,n-bis(2-hydroxyethyl)dodecan-1-aminiumSCHEMBL3939819CHEMBL2110609CHEBI:135537DB13565NS00003731
Database identifiers
- CAS
23884-64-2- PubChem CID
- 29564
- DTXSID
DTXSID90178585- ChEMBL
CHEMBL2110609- ChEBI
CHEBI:135537- UNII
- D95EHT6Y2L
- Nikkaji
- J365.236J
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…