Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-(1-hydroxybutyl)cyclohexaneacetate
Basic information
- CAS
100170-93-2- Standard SMILES
CCCC(O)C(C(=O)OCC[N+](C)(CC)CC)C1CCCCC1.[Br-]- InChIKey
XTXDMMRYKHSJHR-UHFFFAOYSA-M- Molecular formula
- C19H38BrNO3
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 407.20351
Names & identifiers
- Preferred name
- Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-(1-hydroxybutyl)cyclohexaneacetate
- IUPAC
- 2-(2-cyclohexyl-3-hydroxyhexanoyl)oxyethyl-diethyl-methylazanium bromide
Names & synonyms
Diethyl(2-hydroxyethyl)methylammonium bromide alpha-(1-hydroxybutyl)cyclohexaneacetate100170-93-2Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-(1-hydroxybutyl)cyclohexaneacetateRefChem:319219DTXSID909052372-[(2-Cyclohexyl-3-hydroxyhexanoyl)oxy]-N,N-diethyl-N-methylethan-1-aminium bromide
Database identifiers
- CAS
100170-93-2- PubChem CID
- 57634
- DTXSID
DTXSID90905237
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 336
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Related reactions
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Compound notes
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