Ammonium, (p-chlorobenzyl)(2-(2-(6-chloro-2,4-bis(1-ethylpropyl)phenoxy)ethoxy)ethyl)dimethyl-, chloride
Basic information
- CAS
66902-76-9- Standard SMILES
CCC(CC)c1cc(Cl)c(OCCOCC[N+](C)(C)Cc2ccc(Cl)cc2)c(C(CC)CC)c1.[Cl-]- InChIKey
IIUJHNCIGNJERC-UHFFFAOYSA-M- Molecular formula
- C29H44Cl3NO2
- Average molar mass
- 545 g/mol
- Monoisotopic mass
- 543.243763
Names & identifiers
- Preferred name
- Ammonium, (p-chlorobenzyl)(2-(2-(6-chloro-2,4-bis(1-ethylpropyl)phenoxy)ethoxy)ethyl)dimethyl-, chloride
- IUPAC
- 2-[2-[2-chloro-4,6-di(pentan-3-yl)phenoxy]ethoxy]ethyl-[(4-chlorophenyl)methyl]-dimethylazanium chloride
Names & synonyms
66902-76-9Ammonium, (p-chlorobenzyl)(2-(2-(6-chloro-2,4-bis(1-ethylpropyl)phenoxy)ethoxy)ethyl)dimethyl-, chlorideRefChem:319070DTXSID109855512-{2-[2-Chloro-4,6-di(pentan-3-yl)phenoxy]ethoxy}-N-[(4-chlorophenyl)methyl]-N,N-dimethylethan-1-aminium chloride
Database identifiers
- CAS
66902-76-9- PubChem CID
- 48303
- DTXSID
DTXSID10985551
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 530
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Compound notes
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