N,N,N-Trimethyl-2-((1-oxooctadecyl)oxy)ethanaminium
Basic information
- CAS
23464-76-8- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C- InChIKey
SGFBLYBOTWZDDE-UHFFFAOYSA-N- Molecular formula
- C23H48NO2+
- Average molar mass
- 370.6 g/mol
- Monoisotopic mass
- 370.36850477
Overview
Choline stearate is an acylcholine.
Names & identifiers
- Preferred name
- N,N,N-Trimethyl-2-((1-oxooctadecyl)oxy)ethanaminium
- IUPAC
- trimethyl(2-octadecanoyloxyethyl)azanium
- English name
- choline stearate
- Molecular formula
- C23H49NO3
- Molecular weight
- 387.64006
Names & synonyms
Choline stearate23464-76-899XD118U2YDTXSID60178017RefChem:1090341DTXCID90100508N,N,N-Trimethyl-2-((1-oxooctadecyl)oxy)ethanaminium245-675-4Stearoylcholinetrimethyl(2-octadecanoyloxyethyl)azaniumUNII-99XD118U2YChomelanum (TN)
Show more names
N,N,N-Trimethyl-2-[(1-oxooctadecyl)oxy]ethanaminium
EINECS 245-675-4SCHEMBL840884CHEBI:191252CHOLINE STEARATE [WHO-DD]SGFBLYBOTWZDDE-UHFFFAOYSA-NNS00027426D07693N,N,N-Trimethyl-2-(octadecanoyloxy)ethan-1-aminium
Database identifiers
- CAS
23464-76-8- PubChem CID
- 90111
- DTXSID
DTXSID60178017- ChEBI
CHEBI:191252- UNII
- 99XD118U2Y
- EC Number
- 245-675-4
- Nikkaji
- J228.971G
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 20
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 310
Physicochemical properties
- FDA UNII
- 99 XD118U2Y · 99XD118U2Y
Chemistry & industry
Additional notes
DefinitionChEBI: Choline stearate is an acylcholine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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