6,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride
Basic information
- CAS
93568-41-3- Standard SMILES
COc1cc2c(c(OC)c1OC)CN(C)CC2O.Cl- InChIKey
ARSCOWOJWAVBEQ-UHFFFAOYSA-N- Molecular formula
- C13H20ClNO4
- Average molar mass
- 289.75 g/mol
- Monoisotopic mass
- 289.1080858
Overview
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Names & identifiers
- Preferred name
- 6,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride
- IUPAC
- 6,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride
Database identifiers
- CAS
93568-41-3- PubChem CID
- 131887877
- DTXSID
DTXSID40918332
Properties
Computed structural properties
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 276
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Compound notes
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