Basic information
- CAS
36138-32-6- Standard SMILES
CCCCC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C1CCCC1.[Br-]- InChIKey
YDLFPXAUNMGHLJ-UHFFFAOYSA-M- Molecular formula
- C23H44BrNO2
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 445.25554
Names & identifiers
- Preferred name
- 1-Pentanaminium, N-(2-((2,2-dicyclopentylacetyl)oxy)ethyl)-N,N-diethyl-, bromide (1:1)
- IUPAC
- 2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-pentylazanium bromide
Names & synonyms
36138-32-6RefChem:10561861-Pentanaminium, N-(2-((2,2-dicyclopentylacetyl)oxy)ethyl)-N,N-diethyl-, bromide (1:1)Sa 257Diethyl(2-hydroxyethyl)pentylammonium bromide dicyclopentylacetaten-{2-[(dicyclopentylacetyl)oxy]ethyl}-n,n-diethylpentan-1-aminium bromideDTXSID709575522-((Dicyclopentylacetyl)oxy)-N,N-diethyl-N-pentyl-ethanaminium bromideAmmonium, diethyl(2-hydroxyethyl)pentyl-, bromide, dicyclopentylacetateAcetic acid, dicyclopentyl-, 2-(diethylamino)ethyl ester, pentylbromide
Database identifiers
- CAS
36138-32-6- PubChem CID
- 215728
- DTXSID
DTXSID70957552
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…