3-Isoquinolineethanamine, 3,4-dihydro-6,7-dimethoxy-N,N-dimethyl-1-phenyl-, ethanedioate (1:2)
Basic information
- CAS
83658-83-7- Standard SMILES
COc1cc2c(cc1OC)C(c1ccccc1)=NC(CCN(C)C)C2.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
SOQFJGHIGPSBLI-UHFFFAOYSA-N- Molecular formula
- C25H30N2O10
- Average molar mass
- 518.5 g/mol
- Monoisotopic mass
- 518.19004516
Names & identifiers
- Preferred name
- 3-Isoquinolineethanamine, 3,4-dihydro-6,7-dimethoxy-N,N-dimethyl-1-phenyl-, ethanedioate (1:2)
- IUPAC
- 2-(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethanamine;oxalic acid
Names & synonyms
83658-83-73-Isoquinolineethanamine, 3,4-dihydro-6,7-dimethoxy-N,N-dimethyl-1-phenyl-, ethanedioate (1:2)RefChem:10680783,4-Dihydro-6,7-dimethoxy-N,N-dimethyl-1-phenyl-3-isoquinolineethanamine ethanedioate (1:2)DTXSID801003667Oxalic acid--2-(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-3-yl)-N,N-dimethylethan-1-amine (2/1)
Database identifiers
- CAS
83658-83-7- PubChem CID
- 3068697
- DTXSID
DTXSID801003667
Properties
Computed structural properties
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 517
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Compound notes
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