3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium hexane-1-sulfonate
Basic information
- CAS
67603-58-1- Standard SMILES
CCCCCCS(=O)(=O)[O-].CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1- InChIKey
JGBVGHHRZQOWSW-UHFFFAOYSA-M- Molecular formula
- C27H49NO4S
- Average molar mass
- 483.7 g/mol
- Monoisotopic mass
- 483.33823022
Names & identifiers
- Preferred name
- 3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium hexane-1-sulfonate
- IUPAC
- (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium;hexane-1-sulfonate
Names & synonyms
67603-58-1DTXSID709869633-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium hexane-1-sulfonateRefChem:1067672DTXCID601414135(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium hexanesulfonateAMMONIUM, (3-CYCLOHEXYL-3-HYDROXY-3-PHENYLPROPYL)TRIETHYL-, HEXANESULFONATE
Database identifiers
- CAS
67603-58-1- PubChem CID
- 49936
- DTXSID
DTXSID70986963
Properties
Computed structural properties
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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