Basic information
- CAS
13441-22-0- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCN(CCO)C(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]- InChIKey
LWMWHBRMDHVVHW-UHFFFAOYSA-M- Molecular formula
- C46H94N2O9S
- Average molar mass
- 851.3 g/mol
- Monoisotopic mass
- 850.66800375
Names & identifiers
- Preferred name
- Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxooctadecyl)amino)ethyl)-N-methyl-2-((1-oxooctadecyl)oxy)-, methyl sulfate (1:1)
- IUPAC
- 2-hydroxyethyl-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]-methyl-(2-octadecanoyloxyethyl)azanium;methyl sulfate
Names & synonyms
13441-22-0EINECS 236-579-3Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxooctadecyl)amino)ethyl)-N-methyl-2-((1-oxooctadecyl)oxy)-, methyl sulfate (salt)DTXSID40884604Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxooctadecyl)amino)ethyl)-N-methyl-2-((1-oxooctadecyl)oxy)-, methyl sulfate (1:1)Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]-N-methyl-2-[(1-oxooctadecyl)oxy]-, methyl sulfate (1:1)Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]-N-methyl-2-[(1-oxooctadecyl)oxy]-, methyl sulfate (salt)RefChem:138104DTXCID6010240352-hydroxyethyl-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]-methyl-(2-octadecanoyloxyethyl)azanium;methyl sulfateLWMWHBRMDHVVHW-UHFFFAOYSA-M2-Hydroxy-N-{2-[N-(2-hydroxyethyl)octadecanamido]ethyl}-N-methyl-N-[2-(octadecanoyloxy)ethyl]ethan-1-aminium methyl sulfate
Show more names
Bis(2-hydroxyethyl)(2-(N-(2-hydroxyethyl)stearoylamino)ethyl)methylammonium methyl sulphate, stearate
Properties
Computed structural properties
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 43
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 857
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]-N-methyl-2-[(1-oxooctadecyl)oxy]-, methyl sulfate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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