Basic information
- CAS
63991-16-2- Standard SMILES
COc1ccc(OC)c(C(O)C[NH+](C)C)c1.[Cl-]- InChIKey
IAOBSBQMRZRBPT-UHFFFAOYSA-N- Molecular formula
- C12H20ClNO3
- Average molar mass
- 261.74 g/mol
- Monoisotopic mass
- 261.1131712
Names & identifiers
- Preferred name
- Benzyl alcohol, 2,5-dimethoxy-alpha-(dimethylaminomethyl)-, hydrochloride
- IUPAC
- [2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-dimethylazanium chloride
Names & synonyms
63991-16-2BENZYL ALCOHOL, 2,5-DIMETHOXY-alpha-(DIMETHYLAMINOMETHYL)-, HYDROCHLORIDERefChem:10794272,5-Dimethoxy-alpha-(dimethylaminomethyl)benzyl alcohol hydrochloride
Database identifiers
- CAS
63991-16-2- PubChem CID
- 46241
Properties
Computed structural properties
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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