3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate
Basic information
- CAS
67603-56-9- Standard SMILES
CCS(=O)(=O)[O-].CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1- InChIKey
GSIJHPZDYIVQGS-UHFFFAOYSA-M- Molecular formula
- C23H41NO4S
- Average molar mass
- 427.6 g/mol
- Monoisotopic mass
- 427.27562996
Names & identifiers
- Preferred name
- 3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonate
- IUPAC
- (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium;ethanesulfonate
Names & synonyms
67603-56-9DTXSID509869613-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium ethanesulfonateRefChem:1067671DTXCID201414133(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium ethanesulfonateAMMONIUM, (3-CYCLOHEXYL-3-HYDROXY-3-PHENYLPROPYL)TRIETHYL-, ETHANESULFONATE
Database identifiers
- CAS
67603-56-9- PubChem CID
- 49933
- DTXSID
DTXSID50986961
Properties
Computed structural properties
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 410
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Related reactions
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Compound notes
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