3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride
Basic information
- CAS
14356-60-6- Standard SMILES
CCCCCCCCCCCCCCCCCC1=[N+](Cc2ccccc2)CCN1CCO.[Cl-]- InChIKey
CLQYEXVGDIHPFZ-UHFFFAOYSA-M- Molecular formula
- C29H51ClN2O
- Average molar mass
- 479.2 g/mol
- Monoisotopic mass
- 478.3689919
Names & identifiers
- Preferred name
- 3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride
- IUPAC
- 2-(3-benzyl-2-heptadecyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol chloride
Names & synonyms
3-benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chlorideEINECS 238-321-53-Benzyl-2-heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-1-H-imidazolium chloride
Database identifiers
- CAS
14356-60-6- PubChem CID
- 84386
- EC Number
- 238-321-5
Properties
Computed structural properties
- Topological polar surface area
- 26.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 20
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 470
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