Basic information
- CAS
78-05-7- Standard SMILES
CC[N+](CC)(CCOc1ccc(C(C)(C)CC(C)(C)C)cc1)Cc1ccccc1.[Cl-]- InChIKey
DPECLNSLLIQJJO-UHFFFAOYSA-M- Molecular formula
- C27H42ClNO
- Average molar mass
- 432.1 g/mol
- Monoisotopic mass
- 431.2954927
Names & identifiers
- Preferred name
- Octaphen
- IUPAC
- benzyl-diethyl-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]azanium chloride
- English name
- benzyldiethyl-2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethylammonium chloride
- Molecular formula
- C27H42ClNO
- Molecular weight
- 432.08148
Names & synonyms
OctaphenPhenoctide78-05-7Octaphonium chlorideOctafonium (chloride)5SEY06I0DANSC-141119Benzyldiethyl-2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethylammonium chloridebenzyl-diethyl-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]azanium;chlorideBenzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium chlorideOctafonium chloride [INN]Phenoctidiumchlorid
Show more names
Octafonii chloridumUNII-5SEY06I0DAOctafonium chloride [INN:BAN]Benzyldiethyl-2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethylammonium chlorideEINECS 201-078-0PHENOCTIDE [MI]SCHEMBL1649882DTXSID50878675
Database identifiers
- CAS
78-05-7- PubChem CID
- 66211
- DTXSID
DTXSID50878675- UNII
- 5SEY06I0DA
- EC Number
- 201-078-0
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- Melting point
- 112 · 112-114° (Goldberg, Besly); mp 95° (Erekaev)
- FDA UNII
- 5 SEY06I0DA · 5SEY06I0DA
- EPA Substance Registry System
- Octaphen (78-05-7)
Chemistry & industry
Applications
UsesOrthophosphate as lubricant: Semmens, Summers-Smith, GB 790056 (1958 to I.C.I.).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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