2-(2,5-Dimethoxyphenyl)-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride
Basic information
- CAS
63977-44-6- Standard SMILES
COc1ccc(OC)c(C(C)(O)C[N+](C)(C)C)c1.[Cl-]- InChIKey
JKZHBDBZNPVEOX-UHFFFAOYSA-M- Molecular formula
- C14H24ClNO3
- Average molar mass
- 289.8 g/mol
- Monoisotopic mass
- 289.1444713
Names & identifiers
- Preferred name
- 2-(2,5-Dimethoxyphenyl)-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride
- IUPAC
- [2-(2,5-dimethoxyphenyl)-2-hydroxypropyl]-trimethylazanium chloride
Names & synonyms
63977-44-6DTXSID909814102-(2,5-dimethoxyphenyl)-2-hydroxy-N,N,N-trimethylpropan-1-aminium chlorideRefChem:1060764DTXCID301408682(2,5-Dimethoxy-beta-hydroxy-beta-methylphenethyl)trimethylammonium chlorideAMMONIUM, (2,5-DIMETHOXY-beta-HYDROXY-beta-METHYLPHENETHYL)TRIMETHYL-, CHLORIDE
Database identifiers
- CAS
63977-44-6- PubChem CID
- 45782
- DTXSID
DTXSID90981410
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
- 264
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Related reactions
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Compound notes
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