Basic information
- CAS
87-76-3- Standard SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
FDODMJVLXHAZON-UHFFFAOYSA-M- Molecular formula
- C25H42Cl5NO
- Average molar mass
- 549.9 g/mol
- Monoisotopic mass
- 547.170903
Overview
Trimethylcetylammonium pentachlorophenate is a quaternary ammonium salt.
Names & identifiers
- Preferred name
- 1-Hexadecanaminium, N,N,N-trimethyl-, salt with 2,3,4,5,6-pentachlorophenol (1:1)
- IUPAC
- hexadecyl(trimethyl)azanium;2,3,4,5,6-pentachlorophenolate
Names & synonyms
Trimethylcetylammonium pentachlorophenate87-76-338FD6R5F3NDTXSID802360421-Hexadecanaminium, N,N,N-trimethyl-, salt with pentachlorophenol (1:1)RefChem:1055519DTXCID801585331-Hexadecanaminium, N,N,N-trimethyl-, salt with 2,3,4,5,6-pentachlorophenol (1:1)Trimethylcetylammonium pentachlorophenate [JAN]cetrimonium pentachlorophenoxidehexadecyl(trimethyl)azanium;2,3,4,5,6-pentachlorophenolateHexadecyltrimethylammonium pentachlorophenoxide
Show more names
Trimethylcetylammonium pentachlorophenate (JAN)UNII-38FD6R5F3Nn,n,n-trimethylhexadecan-1-aminium pentachlorophenolateCetrimonium pentachloropheneteSCHEMBL887849CHEBI:32263CETRIMONIUM PENTACHLOROPHENATEN,N,N-Trimethyl-1-hexadecanaminium salt with pentachlorophenol (1:1)
Database identifiers
- CAS
87-76-3- PubChem CID
- 6903
- DTXSID
DTXSID80236042- ChEBI
CHEBI:32263- UNII
Properties
Computed structural properties
- Topological polar surface area
- 23.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 15
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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