Basic information
- CAS
64048-45-9- Standard SMILES
CC[N+](C)(CC)CCOC(=O)Cc1ccc(-c2ccccc2)cc1.[I-]- InChIKey
WWPDLGXXOXAQKK-UHFFFAOYSA-M- Molecular formula
- C21H28INO2
- Average molar mass
- 453.4 g/mol
- Monoisotopic mass
- 453.11648
Names & identifiers
- Preferred name
- Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 4-biphenylylacetate
- IUPAC
- diethyl-methyl-[2-[2-(4-phenylphenyl)acetyl]oxyethyl]azanium iodide
- English name
- Diethyl(2-hydroxyethyl)methylammonium iodide, 4-biphenylylacetate
- Molecular formula
- C21H28NO2.I
- Molecular weight
- 453.357
Names & synonyms
64048-45-9Diethyl(2-hydroxyethyl)methylammonium iodide 4-biphenylylacetateM.G. 1046Ammonium, (2-(p-biphenylylacetoxy)ethyl)diethylmethyl-, iodideIoduro di metil-dietil-(beta-difenil-4-acetossi-etil)ammonio [Italian]AMMONIUM, DIETHYL(2-HYDROXYETHYL)METHYL-, IODIDE, 4-BIPHENYLYLACETATEEthanaminium, 2-((1,1'-biphenyl-4-ylacetyl)oxy)-N,N-diethyl-N-methyl-, iodideIoduro di metil-dietil-(beta-difenil-4-acetossi-etil)ammonioRefChem:319235DTXSID009822762-{[([1,1'-Biphenyl]-4-yl)acetyl]oxy}-N,N-diethyl-N-methylethan-1-aminium iodideDiethyl(2-hydroxyethyl)methylammonium iodide, 4-biphenylylacetate
Database identifiers
- CAS
64048-45-9- PubChem CID
- 46783
- DTXSID
DTXSID00982276
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…