3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium butane-1-sulfonate
Basic information
- CAS
67603-57-0- Standard SMILES
CCCCS(=O)(=O)[O-].CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1- InChIKey
HYYSVXSWFZCCGR-UHFFFAOYSA-M- Molecular formula
- C25H45NO4S
- Average molar mass
- 455.7 g/mol
- Monoisotopic mass
- 455.30693009
Names & identifiers
- Preferred name
- 3-Cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium butane-1-sulfonate
- IUPAC
- butane-1-sulfonate;(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium
Names & synonyms
67603-57-0DTXSID109869623-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium butane-1-sulfonateRefChem:1067669DTXCID901414134(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium butanesulfonateAMMONIUM, (3-CYCLOHEXYL-3-HYDROXY-3-PHENYLPROPYL)TRIETHYL-, BUTANESULFONATE
Database identifiers
- CAS
67603-57-0- PubChem CID
- 49934
- DTXSID
DTXSID10986962
Properties
Computed structural properties
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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