Basic information
- CAS
72829-20-0- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCO.COS(=O)(=O)[O-]- InChIKey
BHDSLTCRNSUBNM-UHFFFAOYSA-M- Molecular formula
- C25H53NO7S
- Average molar mass
- 511.8 g/mol
- Monoisotopic mass
- 511.3542742
Names & identifiers
- Preferred name
- Ethanaminium, 2-hydroxy-N,N-dimethyl-N-(2-((1-oxooctadecyl)oxy)ethyl)-, methyl sulfate (1:1)
- IUPAC
- 2-hydroxyethyl-dimethyl-(2-octadecanoyloxyethyl)azanium;methyl sulfate
Names & synonyms
72829-20-0Ethanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-2-((1-oxooctadecyl)oxy)-, methyl sulfate (salt)DTXSID90887807(2-(Stearoyloxy)ethyl)(2-hydroxyethyl)dimethylammonium methosulfateEthanaminium, 2-hydroxy-N,N-dimethyl-N-(2-((1-oxooctadecyl)oxy)ethyl)-, methyl sulfate (1:1)Ethanaminium, 2-hydroxy-N,N-dimethyl-N-[2-[(1-oxooctadecyl)oxy]ethyl]-, methyl sulfate (1:1)Ethanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-2-[(1-oxooctadecyl)oxy]-, methyl sulfate (salt)RefChem:138076DTXCID301027092SCHEMBL18204277BHDSLTCRNSUBNM-UHFFFAOYSA-M2-Hydroxy-N,N-dimethyl-N-[2-(octadecanoyloxy)ethyl]ethan-1-aminium methyl sulfate
Database identifiers
- CAS
72829-20-0- PubChem CID
- 44153141
- DTXSID
DTXSID90887807
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 22
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 435
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanaminium, 2-hydroxy-N,N-dimethyl-N-[2-[(1-oxooctadecyl)oxy]ethyl]-, methyl sulfate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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