Xylocholine
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Basic information
- CAS
669-50-1- Standard SMILES
Cc1cccc(C)c1OCC[N+](C)(C)C- InChIKey
RXYWAURTGUPANZ-UHFFFAOYSA-N- Molecular formula
- C13H22NO+
- Average molar mass
- 208.32 g/mol
- Monoisotopic mass
- 208.17013933
Overview
N,N,N-Trimethyl-(2-(2,6-xylyloxy)ethyl)ammonium is an aromatic ether.
Names & identifiers
- Preferred name
- Xylocholine
- IUPAC
- 2-(2,6-dimethylphenoxy)ethyl-trimethylazanium
- English name
- xylocholine
- Molecular formula
- C13H22NO+
- Molecular weight
- 208.31988
Names & synonyms
Xylocholine669-50-1beta-TM-10N,N,N-Trimethyl-(2-(2,6-xylyloxy)ethyl)ammoniumDTXSID30217043RefChem:195516DTXCID30139534Xylocholine ether2-(2,6-dimethylphenoxy)ethyl-trimethylazaniumEthanaminium, 2-(2,6-dimethylphenoxy)-N,N,N-trimethyl-2-(2,6-Dimethylphenoxy)-N,N,N-trimethylethan-1-aminiumorb1694791
Show more names
CHEBI:189274AKOS040754479T35199
Database identifiers
- CAS
669-50-1- PubChem CID
- 12634
- DTXSID
DTXSID30217043- ChEBI
CHEBI:189274
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 1
- Complexity
- 175
Chemistry & industry
Additional notes
DefinitionChEBI: N,N,N-Trimethyl-(2-(2,6-xylyloxy)ethyl)ammonium is an aromatic ether.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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