Dodeclonium
Basic information
- CAS
123247-90-5- Standard SMILES
CCCCCCCCCCCC[N+](C)(C)CCOc1ccc(Cl)cc1- InChIKey
DIQMZVPLKDZWFT-UHFFFAOYSA-N- Molecular formula
- C22H39ClNO+
- Average molar mass
- 369 g/mol
- Monoisotopic mass
- 368.2720176
Overview
Dodeclonium is an aromatic ether that is 4-chlorophenol in which the hydroxy group is replaced by a 2-[dodecyl(dimethyl)azaniumyl]ethoxy group. It has a role as an antiseptic drug. It is a quaternary ammonium ion, an aromatic ether and a member of monochlorobenzenes.
Names & identifiers
- Preferred name
- Dodeclonium
- IUPAC
- 2-(4-chlorophenoxy)ethyl-dodecyl-dimethylazanium
Names & synonyms
DodecloniumDodeclonium ionDodeclonium cationUNII-T2J8EBO436T2J8EBO436123247-90-51-Dodecanaminium, N-(2-(4-chlorophenoxy)ethyl)-N,N-dimethyl-DODECLONIUM [WHO-DD]CHEBI:166833DTXSID10153910N-[2-(4-chlorophenoxy)ethyl]-N,N-dimethyldodecan-1-aminiumN-(2-(4-chlorophenoxy)ethyl)-N,N-dimethyl-1-dodecanaminium
Show more names
N-(2-(4-chlorophenoxy)ethyl)-N,N-dimethyldodecan-1-aminiumRefChem:135471DTXCID60764012-(4-chlorophenoxy)ethyl-dodecyl-dimethylazaniumCHEMBL2110825SCHEMBL29385158Q27289582
Database identifiers
- CAS
123247-90-5- PubChem CID
- 71687
- DTXSID
DTXSID10153910- ChEMBL
CHEMBL2110825- ChEBI
CHEBI:166833- UNII
- T2J8EBO436
- Nikkaji
- J238.017J
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 15
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…