N,N,N-Triethylethanaminium 3,6,9,12-tetraoxatricosan-1-oate
Basic information
- CAS
596121-44-7- Standard SMILES
CCCCCCCCCCCOCCOCCOCCOCC(=O)[O-].CC[N+](CC)(CC)CC- InChIKey
POYJILZOJMSHTG-UHFFFAOYSA-M- Molecular formula
- C27H57NO6
- Average molar mass
- 491.7 g/mol
- Monoisotopic mass
- 491.41858854
Names & identifiers
- Preferred name
- N,N,N-Triethylethanaminium 3,6,9,12-tetraoxatricosan-1-oate
- IUPAC
- tetraethylazanium;2-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]acetate
Names & synonyms
596121-44-7N,N,N-Triethylethanaminium 3,6,9,12-tetraoxatricosan-1-oateDTXSID20787088
Database identifiers
- CAS
596121-44-7- PubChem CID
- 71363571
- DTXSID
DTXSID20787088
Properties
Computed structural properties
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 24
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 315
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Related reactions
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Compound notes
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