Basic information
- CAS
101474-34-4- Standard SMILES
CCCC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C1CCCC1.[Br-]- InChIKey
BNDODZZYZIOJBE-UHFFFAOYSA-M- Molecular formula
- C22H42BrNO2
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 431.23989
Names & identifiers
- Preferred name
- Ammonium, butyldiethyl(2-hydroxyethyl)-, bromide, dicyclopentylacetate
- IUPAC
- butyl-[2-(2,2-dicyclopentylacetyl)oxyethyl]-diethylazanium bromide
Names & synonyms
Ug 766101474-34-4Butyldiethyl(2-hydroxyethyl)ammonium bromide dicyclopentylacetate2-((Dicyclopentylacetyl)oxy)-N-butyl-N,N-diethylethanaminium bromideAMMONIUM, BUTYLDIETHYL(2-HYDROXYETHYL)-, BROMIDE, DICYCLOPENTYLACETATERefChem:319187DTXSID60906211n-{2-[(dicyclopentylacetyl)oxy]ethyl}-n,n-diethylbutan-1-aminium bromide
Database identifiers
- CAS
101474-34-4- PubChem CID
- 58388
- DTXSID
DTXSID60906211
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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