Basic information
- CAS
63977-45-7- Standard SMILES
COc1ccc(OC)c(C(O)C[N+](C)(C)C)c1.[Cl-]- InChIKey
IUXBQHOEFVDPEG-UHFFFAOYSA-M- Molecular formula
- C13H22ClNO3
- Average molar mass
- 275.77 g/mol
- Monoisotopic mass
- 275.1288213
Names & identifiers
- Preferred name
- 2-(2,5-Dimethoxyphenyl)-2-hydroxy-N,N,N-trimethylethan-1-aminium chloride
- IUPAC
- [2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-trimethylazanium chloride
Names & synonyms
63977-45-7DTXSID509814112-(2,5-Dimethoxyphenyl)-2-hydroxy-N,N,N-trimethylethan-1-aminium chlorideRefChem:1060763DTXCID001408683(2,5-Dimethoxy-beta-hydroxyphenethyl)trimethylammonium chlorideAMMONIUM, (2,5-DIMETHOXY-beta-HYDROXYPHENETHYL)TRIMETHYL-, CHLORIDE
Database identifiers
- CAS
63977-45-7- PubChem CID
- 45784
- DTXSID
DTXSID50981411
Properties
Computed structural properties
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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