Basic information
- CAS
55019-67-5- Standard SMILES
CCCCCC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.[Br-]- InChIKey
QQASUCNQTMPYCA-UHFFFAOYSA-M- Molecular formula
- C24H34BrNO3
- Average molar mass
- 464.4 g/mol
- Monoisotopic mass
- 463.17221
Names & identifiers
- Preferred name
- Ammonium, dimethylhexyl(2-hydroxyethyl)-, bromide, benzilate
- IUPAC
- hexyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium bromide
Names & synonyms
Dimethylhexyl(2-hydroxyethyl)ammonium bromide benzilate55019-67-5Benzisaeure-dimethyl-hexyl-ammonium-aethylester-bromide [German]AMMONIUM, DIMETHYLHEXYL(2-HYDROXYETHYL)-, BROMIDE, BENZILATEBenzisaeure-dimethyl-hexyl-ammonium-aethylester-bromideRefChem:319344DTXSID80970378N-(2-{[Hydroxy(diphenyl)acetyl]oxy}ethyl)-N,N-dimethylhexan-1-aminium bromideN-(2-{[Hydroxydi(phenyl)acetyl]oxy}ethyl)-N,N-dimethylhexan-1-aminium bromide
Database identifiers
- CAS
55019-67-5- PubChem CID
- 41291
- DTXSID
DTXSID80970378
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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