2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol acetate
Basic information
- CAS
39043-53-3- Standard SMILES
CC(=O)[O-].CCCCCCCCCCCCCCCCCC1=NCC[NH+]1CCO- InChIKey
KFLYRIQQUDKDNM-UHFFFAOYSA-N- Molecular formula
- C24H48N2O3
- Average molar mass
- 412.6 g/mol
- Monoisotopic mass
- 412.3664934
Overview
See other relationships...
Names & identifiers
- Preferred name
- 2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol acetate
- IUPAC
- 2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-ium-1-yl)ethanol acetate
Names & synonyms
NS00084527
Database identifiers
- CAS
39043-53-3- PubChem CID
- 71436675
Properties
Computed structural properties
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 343
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…