Basic information
- CAS
85455-61-4- Standard SMILES
CCCCCCCCC=CCC=CCCCCC1=NCC[N+]1(CCN)CCO.[Cl-]- InChIKey
OUDFWMPRTYJCHS-UHFFFAOYSA-M- Molecular formula
- C24H46ClN3O
- Average molar mass
- 428.1 g/mol
- Monoisotopic mass
- 427.3329408
Names & identifiers
- Preferred name
- 1H-Imidazolium, 1-(2-aminoethyl)-2-(5,8-heptadecadien-1-yl)-4,5-dihydro-1-(2-hydroxyethyl)-, chloride (1:1)
- IUPAC
- 2-[1-(2-aminoethyl)-2-heptadeca-5,8-dienyl-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride
Names & synonyms
DTXSID701379497NS000650011H-Imidazolium, 1-(2-aminoethyl)-2-(5,8-heptadecadien-1-yl)-4,5-dihydro-1-(2-hydroxyethyl)-, chloride (1:1)
Database identifiers
- CAS
85455-61-4- PubChem CID
- 53422012
- DTXSID
DTXSID701379497
Properties
Computed structural properties
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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