1-Octadecanaminium, N-(2-((2-aminoethyl)amino)ethyl)-N-(2-carboxyethyl)-N-ethyl-1-oxo-, ethyl sulfate (1:1)
Basic information
- CAS
68459-83-6- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)[N+](CC)(CCNCCN)CCC(=O)O.CCOS(=O)(=O)[O-]- InChIKey
BWXUWFRLHCHAHX-UHFFFAOYSA-N- Molecular formula
- C29H61N3O7S
- Average molar mass
- 595.9 g/mol
- Monoisotopic mass
- 595.42302247
Names & identifiers
- Preferred name
- 1-Octadecanaminium, N-(2-((2-aminoethyl)amino)ethyl)-N-(2-carboxyethyl)-N-ethyl-1-oxo-, ethyl sulfate (1:1)
- IUPAC
- 2-(2-aminoethylamino)ethyl-(2-carboxyethyl)-ethyl-octadecanoylazanium;ethyl sulfate
Names & synonyms
68459-83-6EINECS 270-620-6DTXSID508874041-Octadecanaminium, N-(2-((2-aminoethyl)amino)ethyl)-N-(2-carboxyethyl)-N-ethyl-1-oxo-, ethyl sulfate1-Octadecanaminium, N-(2-((2-aminoethyl)amino)ethyl)-N-(2-carboxyethyl)-N-ethyl-1-oxo-, ethyl sulfate (1:1)1-Octadecanaminium, N-[2-[(2-aminoethyl)amino]ethyl]-N-(2-carboxyethyl)-N-ethyl-1-oxo-, ethyl sulfate1-Octadecanaminium, N-[2-[(2-aminoethyl)amino]ethyl]-N-(2-carboxyethyl)-N-ethyl-1-oxo-, ethyl sulfate (1:1)RefChem:76743DTXCID801026699(2-((2-Aminoethyl)amino)ethyl)(2-carboxyethyl)(ethyl)(stearoyl)ammonium ethyl sulphateNS00062868N-{2-[(2-AMINOETHYL)AMINO]ETHYL}-N-(2-CARBOXYETHYL)-N-ETHYLOCTADECANAMIDIUM ETHYL SULFATE
Database identifiers
- CAS
68459-83-6- PubChem CID
- 110330
- DTXSID
DTXSID50887404- EC Number
- 270-620-6
Properties
Computed structural properties
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 26
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 577
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Octadecanaminium, N-[2-[(2-aminoethyl)amino]ethyl]-N-(2-carboxyethyl)-N-ethyl-1-oxo-, ethyl sulfate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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