Basic information
- CAS
63977-46-8- Standard SMILES
COc1ccc(OC)c(C(O)C(C)[N+](C)(C)C)c1.[Cl-]- InChIKey
VXAKLOLHHGJHEX-UHFFFAOYSA-M- Molecular formula
- C14H24ClNO3
- Average molar mass
- 289.8 g/mol
- Monoisotopic mass
- 289.1444713
Names & identifiers
- Preferred name
- 1-(2,5-Dimethoxyphenyl)-1-hydroxy-N,N,N-trimethylpropan-2-aminium chloride
- IUPAC
- [1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]-trimethylazanium chloride
Names & synonyms
63977-46-8DTXSID109814121-(2,5-dimethoxyphenyl)-1-hydroxy-N,N,N-trimethylpropan-2-aminium chlorideRefChem:1053847DTXCID701408684AMMONIUM, (2,5-DIMETHOXY-beta-HYDROXY-alpha-METHYLPHENETHYL)TRIMETHYL-, CHLORIDEAmmonium, (1-(2',5'-dimethoxyphenyl)-1-hydroxyisopropyl)trimethyl-, chloride
Database identifiers
- CAS
63977-46-8- PubChem CID
- 45786
- DTXSID
DTXSID10981412
Properties
Computed structural properties
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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