Basic information
- CAS
64048-43-7- Standard SMILES
CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.N#C[S-]- InChIKey
OGHTWVWGJZOCIQ-UHFFFAOYSA-M- Molecular formula
- C28H42N2O2S
- Average molar mass
- 470.7 g/mol
- Monoisotopic mass
- 470.29669976
Names & identifiers
- Preferred name
- Ammonium, benzyldimethyl(2-(2-(p-1,1,3,3-tetramethylbutylphenoxy)ethoxy)ethyl)-, thiocyanate
- IUPAC
- benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium thiocyanate
Names & synonyms
64048-43-7Ammonium, benzyldimethyl(2-(2-(p-1,1,3,3-tetramethylbutylphenoxy)ethoxy)ethyl)-, thiocyanateDTXSID40214144RefChem:319167DTXCID40136635Ammonium thiocyanate, benzyldimethyl{2-[2-(p-1,1,3,3-tetramethylbutyl-phenoxy)ethoxy]ethyl}-benzyl-dimethyl-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium; thiocyanic acidN-Benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethan-1-aminium thiocyanate
Database identifiers
- CAS
64048-43-7- PubChem CID
- 46782
- DTXSID
DTXSID40214144
Properties
Computed structural properties
- Topological polar surface area
- 43.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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