2-Heptadecyl-3-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-3-ium chloride
Basic information
- CAS
94160-10-8- Standard SMILES
CCCCCCCCCCCCCCCCCC1=[N+](CCO)CCN1.[Cl-]- InChIKey
LBEJEZHDEBDLKZ-UHFFFAOYSA-N- Molecular formula
- C22H45ClN2O
- Average molar mass
- 389.1 g/mol
- Monoisotopic mass
- 388.3220418
Names & identifiers
- Preferred name
- 2-Heptadecyl-3-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-3-ium chloride
- IUPAC
- 2-(2-heptadecyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)ethanol chloride
Names & synonyms
SCHEMBL1255506DB-2515092-Heptadecyl-3-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-3-ium chloride53466-92-5
Database identifiers
- CAS
94160-10-8- PubChem CID
- 10200325
Properties
Computed structural properties
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 18
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 328
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Compound notes
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