Basic information
- CAS
13078-70-1- Standard SMILES
COc1ccc(OC)c(CC[N+](C)(C)C)c1.[Cl-]- InChIKey
SLANUBHZICPYRW-UHFFFAOYSA-M- Molecular formula
- C13H22ClNO2
- Average molar mass
- 259.77 g/mol
- Monoisotopic mass
- 259.1339066
Names & identifiers
- Preferred name
- 2-(2,5-Dimethoxyphenyl)-N,N,N-trimethylethan-1-aminium chloride
- IUPAC
- 2-(2,5-dimethoxyphenyl)ethyl-trimethylazanium chloride
Names & synonyms
13078-70-1DTXSID709269002-(2,5-Dimethoxyphenyl)-N,N,N-trimethylethan-1-aminium chlorideRefChem:1060766DTXCID901355706AMMONIUM, (2,5-DIMETHOXYPHENETHYL)TRIMETHYL-, CHLORIDEPhenethylamine, 2,5-dimethoxy-N,N-dimethyl-, methochloride
Database identifiers
- CAS
13078-70-1- PubChem CID
- 25682
- DTXSID
DTXSID70926900
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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