Basic information
- Standard SMILES
CC(c1cccc(N)c1)S(=O)(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC- InChIKey
KJZHVIPBHLWHKA-UHFFFAOYSA-M- Molecular formula
- C24H46N2O3S
- Average molar mass
- 442.7 g/mol
- Monoisotopic mass
- 442.32291451
Names & identifiers
- Preferred name
- Tetra-n-butylammonium 1-(3-aminophenyl)ethanesulphonate
- IUPAC
- 1-(3-aminophenyl)ethanesulfonate;tetrabutylazanium
Names & synonyms
SCHEMBL8765979KJZHVIPBHLWHKA-UHFFFAOYSA-Mtetra-n-butylammonium 1-(3-aminophenyl)ethanesulphonate
Database identifiers
- PubChem CID
- 9803422
Properties
Computed structural properties
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 360
Related reactions
1 records
Compound notes
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