Basic information
- CAS
47695-36-3- Standard SMILES
CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)Cc1ccccc1- InChIKey
GMPZUCASMVTPKD-UHFFFAOYSA-N- Molecular formula
- C29H51N2O+
- Average molar mass
- 443.7 g/mol
- Monoisotopic mass
- 443.40013926
Names & identifiers
- Preferred name
- 1-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium
- IUPAC
- 2-(1-benzyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
Names & synonyms
DTXSID909040631-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium47695-36-3
Database identifiers
- CAS
47695-36-3- PubChem CID
- 409113
- DTXSID
DTXSID90904063
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 20
- Heavy atoms
- 32
- Formal charge
- 1
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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