Basic information
- CAS
101317-78-6- Standard SMILES
CC[N+](C)(CC)CCOC(=O)CC(C1CCCCC1)C(O)C1CCCCC1.[Br-]- InChIKey
AADLHSOEEPHJJE-UHFFFAOYSA-M- Molecular formula
- C23H44BrNO3
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 461.25046
Names & identifiers
- Preferred name
- Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 2,3-dicyclohexyl-3-hydroxybutyrate
- IUPAC
- 2-(3,4-dicyclohexyl-4-hydroxybutanoyl)oxyethyl-diethyl-methylazanium bromide
Names & synonyms
101317-78-6Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 2,3-dicyclohexyl-3-hydroxybutyrateDiethyl(2-hydroxyethyl)methylammonium bromide 2,3-dicyclohexyl-3-hydroxybutyrateRefChem:319216DTXSID609060542-[(3,4-Dicyclohexyl-4-hydroxybutanoyl)oxy]-N,N-diethyl-N-methylethan-1-aminium bromide
Database identifiers
- CAS
101317-78-6- PubChem CID
- 58252
- DTXSID
DTXSID60906054
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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