Basic information
- CAS
47525-33-7- Standard SMILES
CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(O)CS(=O)(=O)O- InChIKey
HTHZSGNTDIRNDV-UHFFFAOYSA-O- Molecular formula
- C19H39N2O5S+
- Average molar mass
- 407.6 g/mol
- Monoisotopic mass
- 407.25796852
Names & identifiers
- Preferred name
- 4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium
- IUPAC
- 2-hydroxy-3-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]propane-1-sulfonic acid
Names & synonyms
DTXSID7013664924,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium47525-33-7
Database identifiers
- CAS
47525-33-7- PubChem CID
- 102785
- DTXSID
DTXSID701366492
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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