1-Ethyl-2-[(8Z)-heptadec-8-en-1-yl]-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium
Basic information
- CAS
61596-14-3- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC1=NCC[N+]1(CC)CCO- InChIKey
NCSLDIODEJROGP-QXMHVHEDSA-N- Molecular formula
- C24H47N2O+
- Average molar mass
- 379.6 g/mol
- Monoisotopic mass
- 379.36883913
Names & identifiers
- Preferred name
- 1-Ethyl-2-[(8Z)-heptadec-8-en-1-yl]-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium
- IUPAC
- 2-[1-ethyl-2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol
Names & synonyms
DTXSID508920931-Ethyl-2-[(8Z)-heptadec-8-en-1-yl]-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium61596-14-3
Database identifiers
- CAS
61596-14-3- PubChem CID
- 6912976
- DTXSID
DTXSID50892093- Nikkaji
- J269.485I
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 18
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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