Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-cyclohexyl-1-hydroxycyclohexaneacetate
Basic information
- CAS
100916-78-7- Standard SMILES
CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C1(O)CCCCC1.[Br-]- InChIKey
WADCYOUWAGZWFX-UHFFFAOYSA-M- Molecular formula
- C21H40BrNO3
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 433.21916
Names & identifiers
- Preferred name
- Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-cyclohexyl-1-hydroxycyclohexaneacetate
- IUPAC
- 2-[2-cyclohexyl-2-(1-hydroxycyclohexyl)acetyl]oxyethyl-diethyl-methylazanium bromide
- English name
- Diethyl(2-hydroxyethyl)methylammonium bromide alpha-cyclohexyl-1-hydro xycyclohexaneacetate
- Molecular formula
- C21H40NO3.Br
- Molecular weight
- 434.455
Names & synonyms
100916-78-7Diethyl(2-hydroxyethyl)methylammonium bromide alpha-cyclohexyl-1-hydroxycyclohexaneacetateRefChem:319222Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-cyclohexyl-1-hydroxycyclohexaneacetateAmmonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-cyclohexyl-1- hydroxycyclohexaneacetateDTXSID809058422-[2-cyclohexyl-2-(1-hydroxycyclohexyl)acetyl]oxyethyl-diethyl-methylazanium;bromideDiethyl(2-hydroxyethyl)methylammonium bromide alpha-cyclohexyl-1-hydro xycyclohexaneacetate2-{[Cyclohexyl(1-hydroxycyclohexyl)acetyl]oxy}-N,N-diethyl-N-methylethan-1-aminium bromide
Database identifiers
- CAS
100916-78-7- PubChem CID
- 58128
- DTXSID
DTXSID80905842
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
- 407
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Related reactions
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Compound notes
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