2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide
Basic information
- CAS
109731-99-9- Standard SMILES
C[N+](C)(C)c1ccccc1OCC(O)CO.[Br-]- InChIKey
IZDMGCXUXGUNAX-UHFFFAOYSA-M- Molecular formula
- C12H20BrNO3
- Average molar mass
- 306.2 g/mol
- Monoisotopic mass
- 305.06266
Names & identifiers
- Preferred name
- 2-(2,3-Dihydroxypropoxy)-N,N,N-trimethylanilinium bromide
- IUPAC
- [2-(2,3-dihydroxypropoxy)phenyl]-trimethylazanium bromide
Names & synonyms
109731-99-9DTXSID009113092-(2,3-dihydroxypropoxy)-n,n,n-trimethylanilinium bromideRefChem:1060735DTXCID001340346(o-(2,3-Dihydroxypropoxy)phenyl)trimethylammonium bromide3-(o-Dimethylaminophenoxy)-1,2-propanediol methobromideAMMONIUM, (o-(2,3-DIHYDROXYPROPOXY)PHENYL)TRIMETHYL-, BROMIDE
Database identifiers
- CAS
109731-99-9- PubChem CID
- 60369
- DTXSID
DTXSID00911309
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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