Basic information
- CAS
55019-66-4- Standard SMILES
CCCC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.[Br-]- InChIKey
QEQZIZQFEVNSQP-UHFFFAOYSA-M- Molecular formula
- C22H30BrNO3
- Average molar mass
- 436.4 g/mol
- Monoisotopic mass
- 435.14091
Names & identifiers
- Preferred name
- Ammonium, butyldimethyl(2-hydroxyethyl)-, bromide, benzilate
- IUPAC
- butyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium bromide
Names & synonyms
Butyldimethyl(2-hydroxyethyl)ammonium bromide benzilate55019-66-4Benzilsaeure-butyl-dimethyl-ammonium-aethylester-bromide [German]AMMONIUM, BUTYLDIMETHYL(2-HYDROXYETHYL)-, BROMIDE, BENZILATEBenzilsaeure-butyl-dimethyl-ammonium-aethylester-bromideRefChem:319189DTXSID20970377N-(2-{[Hydroxy(diphenyl)acetyl]oxy}ethyl)-N,N-dimethylbutan-1-aminium bromideN-(2-{[Hydroxydi(phenyl)acetyl]oxy}ethyl)-N,N-dimethylbutan-1-aminium bromide
Database identifiers
- CAS
55019-66-4- PubChem CID
- 41289
- DTXSID
DTXSID20970377
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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