Basic information
- CAS
67-06-1- Standard SMILES
Cc1ccccc1OCC[N+](C)(C)C.[Br-]- InChIKey
SJYDJVHITWHSES-UHFFFAOYSA-M- Molecular formula
- C12H20BrNO
- Average molar mass
- 274.2 g/mol
- Monoisotopic mass
- 273.07283
Names & identifiers
- Preferred name
- Choline o-tolyl ether bromide
- IUPAC
- trimethyl-[2-(2-methylphenoxy)ethyl]azanium bromide
Names & synonyms
Choline o-tolyl ether bromide67-06-1RefChem:1081487TM 18beta-(o-Toloxy)ethyltrimethylammonium bromide(2-(o-Tolyloxy)ethyl)trimethylammonium bromideAMMONIUM, (2-(o-TOLYLOXY)ETHYL)TRIMETHYL-, BROMIDEDTXSID20985820N,N,N-Trimethyl-2-(2-methylphenoxy)ethan-1-aminium bromide
Database identifiers
- CAS
67-06-1- PubChem CID
- 6203
- DTXSID
DTXSID20985820
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 162
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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