Basic information
- CAS
65060-08-4- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCCN(CCO)CC[N+](C)(CCO)CCN(CCO)C(=O)CCCCCCCCCCCCCCC.COS(=O)(=O)[O-]- InChIKey
CMJLIUNBUANLQU-UHFFFAOYSA-M- Molecular formula
- C46H95N3O10S
- Average molar mass
- 882.3 g/mol
- Monoisotopic mass
- 881.67381741
Names & identifiers
- Preferred name
- Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxohexadecyl)amino)ethyl)-2-((2-hydroxyethyl)(2-((1-oxohexadecyl)oxy)ethyl)amino)-N-methyl-, methyl sulfate (1:1)
- IUPAC
- 2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-[2-[2-hexadecanoyloxyethyl(2-hydroxyethyl)amino]ethyl]-(2-hydroxyethyl)-methylazanium;methyl sulfate
- English name
- (2-hydroxyethyl)[2-[(2-hydroxyethyl)(palmitoyl)amino]ethyl][2-[(2-hydroxyethyl)[2-(palmitoyloxy)ethyl]amino]ethyl]methylammonium methyl sulphate
- Molecular formula
- C46H95N3O10S
- Molecular weight
- 882.3256
Names & synonyms
65060-08-4EINECS 265-355-8DTXSID70886717Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxohexadecyl)amino)ethyl)-2-((2-hydroxyethyl)(2-((1-oxohexadecyl)oxy)ethyl)amino)-N-methyl-, methyl sulfate (1:1)Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxohexadecyl)amino)ethyl)-2-((2-hydroxyethyl)(2-((1-oxohexadecyl)oxy)ethyl)amino)-N-methyl-, methyl sulfate (salt)Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)(1-oxohexadecyl)amino]ethyl]-2-[(2-hydroxyethyl)[2-[(1-oxohexadecyl)oxy]ethyl]amino]-N-methyl-, methyl sulfate (1:1)Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)(1-oxohexadecyl)amino]ethyl]-2-[(2-hydroxyethyl)[2-[(1-oxohexadecyl)oxy]ethyl]amino]-N-methyl-, methyl sulfate (salt)RefChem:138102DTXCID201026039(2-Hydroxyethyl)(2-((2-hydroxyethyl)(palmitoyl)amino)ethyl)(2-((2-hydroxyethyl)(2-(palmitoyloxy)ethyl)amino)ethyl)methylammonium methyl sulphateCMJLIUNBUANLQU-UHFFFAOYSA-MNS00055055
Properties
Computed structural properties
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 44
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 909
Physicochemical properties
- EPA Substance Registry System
- 2 · Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)(1-oxohexadecyl)amino]ethyl]-2-[(2-hydroxyethyl)[2-[(1-oxohexadecyl)oxy]ethyl]amino]-N-methyl-, methyl sulfate (salt) (65060-08-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)(1-oxohexadecyl)amino]ethyl]-2-[(2-hydroxyethyl)[2-[(1-oxohexadecyl)oxy]ethyl]amino]-N-methyl-, methyl sulfate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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