Basic information
- CAS
63905-70-4- Standard SMILES
C[NH+]1CCc2cc(O)c(O)cc2C1CCc1ccc(Cl)cc1.[Cl-]- InChIKey
CFWATMFTYGZZAF-UHFFFAOYSA-N- Molecular formula
- C18H21Cl2NO2
- Average molar mass
- 354.3 g/mol
- Monoisotopic mass
- 353.0949343
Names & identifiers
- Preferred name
- 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-2-methyl-, hydrochloride
- IUPAC
- 1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride
Names & synonyms
6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-2-methyl-, hydrochloride63905-70-41-(4-Chlorophenethyl)-6,7-dihydroxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride6,7-Isoquinolinediol, 1-(4-chlorophenethyl)-2-methyl-1,2,3,4-tetrahydro-, hydrochlorideRefChem:306269
Database identifiers
- CAS
63905-70-4- PubChem CID
- 45111
Properties
Computed structural properties
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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