dihydrogen phosphate;2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol
Basic information
- CAS
68444-19-9- Standard SMILES
CCCCCCCCCCCCCCCCCC1=NCC[NH+]1CCO.O=P([O-])(O)O- InChIKey
HMRPOFXYUBTFNV-UHFFFAOYSA-N- Molecular formula
- C22H47N2O5P
- Average molar mass
- 450.6 g/mol
- Monoisotopic mass
- 450.3222596
Names & identifiers
- Preferred name
- dihydrogen phosphate;2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol
- IUPAC
- dihydrogen phosphate;2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol
Database identifiers
- CAS
68444-19-9- PubChem CID
- 71439728
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 18
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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