N-[2-(Acetyloxy)ethyl]-1,3-bis(hexadecyloxy)-N,N-dimethyl-1,3-dioxo-2-propanaminium
Basic information
- CAS
790626-91-4- Standard SMILES
CCCCCCCCCCCCCCCCOC(=O)C(C(=O)OCCCCCCCCCCCCCCCC)[N+](C)(C)CCOC(C)=O- InChIKey
WXRKKIQIMCMNLQ-UHFFFAOYSA-N- Molecular formula
- C41H80NO6+
- Average molar mass
- 683.1 g/mol
- Monoisotopic mass
- 682.59856427
Names & identifiers
- Preferred name
- N-[2-(Acetyloxy)ethyl]-1,3-bis(hexadecyloxy)-N,N-dimethyl-1,3-dioxo-2-propanaminium
- IUPAC
- 2-acetyloxyethyl-(1,3-dihexadecoxy-1,3-dioxopropan-2-yl)-dimethylazanium
Names & synonyms
NCI60_007863CHEMBL2008791DTXSID401129938N-[2-(Acetyloxy)ethyl]-1,3-bis(hexadecyloxy)-N,N-dimethyl-1,3-dioxo-2-propanaminium790626-91-4N-[2-(Acetyloxy)ethyl]-1,3-bis(hexadecyloxy)-N,N-dimethyl-1,3-dioxopropan-2-aminium
Database identifiers
- CAS
790626-91-4- PubChem CID
- 361983
- DTXSID
DTXSID401129938- ChEMBL
CHEMBL2008791
Properties
Computed structural properties
- XLogP
- 15.7
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 39
- Heavy atoms
- 48
- Formal charge
- 1
- Complexity
- 709
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…