Basic information
- CAS
73680-70-3- Standard SMILES
CC[N+](CC)(CC)Cc1ccccc1.[O-]c1cc(Cl)c(Cl)cc1Cl- InChIKey
NXKZTNRLSMZTKO-UHFFFAOYSA-M- Molecular formula
- C19H24Cl3NO
- Average molar mass
- 388.8 g/mol
- Monoisotopic mass
- 387.092347
Names & identifiers
- Preferred name
- Ammonium, benzyltriethyl-, 2,4,5-trichlorophenate
- IUPAC
- benzyl(triethyl)azanium;2,4,5-trichlorophenolate
Names & synonyms
Benzyltriethylammonium 2,4,5-trichlorophenateAMMONIUM, BENZYLTRIETHYL-, 2,4,5-TRICHLOROPHENATE73680-70-3DTXSID10223940RefChem:319171DTXCID40146431N-benzyl-N,N-diethylethanaminium 2,4,5-trichlorophenolate
Database identifiers
- CAS
73680-70-3- PubChem CID
- 52131
- DTXSID
DTXSID10223940
Properties
Computed structural properties
- Topological polar surface area
- 23.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- 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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