Basic information
- CAS
57876-22-9- Standard SMILES
CCC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.[Br-]- InChIKey
TZSOXWMYOZPGBX-UHFFFAOYSA-M- Molecular formula
- C21H28BrNO3
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 421.12526
Names & identifiers
- Preferred name
- Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate
- IUPAC
- 2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-propylazanium bromide
Names & synonyms
Dimethyl(2-hydroxyethyl)propylammonium bromide benzilate57876-22-9Benzilsaeure-dimethyl-propyl-ammonium-aethylester-bromide [German]AMMONIUM, DIMETHYL(2-HYDROXYETHYL)PROPYL-, BROMIDE, BENZILATEBenzilsaeure-dimethyl-propyl-ammonium-aethylester-bromideRefChem:319322DTXSID30973470N-(2-{[Hydroxy(diphenyl)acetyl]oxy}ethyl)-N,N-dimethylpropan-1-aminium bromideN-(2-{[Hydroxydi(phenyl)acetyl]oxy}ethyl)-N,N-dimethylpropan-1-aminium bromide
Database identifiers
- CAS
57876-22-9- PubChem CID
- 42597
- DTXSID
DTXSID30973470
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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