Basic information
- CAS
102322-94-1- Standard SMILES
CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CCCCCl- InChIKey
ZCBMFFBZHNUPOS-UHFFFAOYSA-N- Molecular formula
- C26H52ClN2O+
- Average molar mass
- 444.2 g/mol
- Monoisotopic mass
- 443.376817
Names & identifiers
- Preferred name
- 1-(4-Chlorobutyl)-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium
- IUPAC
- 2-[1-(4-chlorobutyl)-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol
Names & synonyms
DTXSID109040651-(4-Chlorobutyl)-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium102322-94-1
Database identifiers
- CAS
102322-94-1- PubChem CID
- 409228
- DTXSID
DTXSID10904065
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 22
- Heavy atoms
- 30
- Formal charge
- 1
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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