Isoquinoline, 6-ethoxy-7-methoxy-1,2,3,4-tetrahydro-, hydrochloride
Basic information
- CAS
6272-91-9- Standard SMILES
CCOc1cc2c(cc1OC)C[NH2+]CC2.[Cl-]- InChIKey
CYNNLQKCAXEVJN-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO2
- Average molar mass
- 243.73 g/mol
- Monoisotopic mass
- 243.1026065
Names & identifiers
- Preferred name
- Isoquinoline, 6-ethoxy-7-methoxy-1,2,3,4-tetrahydro-, hydrochloride
- IUPAC
- 6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
6272-91-9ISOQUINOLINE, 6-ETHOXY-7-METHOXY-1,2,3,4-TETRAHYDRO-, HYDROCHLORIDERefChem:1087778NSC 336386-Ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochlorideIsoquinoline, 6-ethoxy-1,2,3,4-tetrahydro-7-methoxy-, hydrochloride
Database identifiers
- CAS
6272-91-9- PubChem CID
- 22661
Properties
Computed structural properties
- Topological polar surface area
- 35.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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