3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(3-methoxyphenyl)-, ethanedioate (1:2)
Basic information
- CAS
83658-39-3- Standard SMILES
COc1cccc(C2=NC(CCN(C)C)Cc3ccccc32)c1.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
IFZDSCRUXDGMRZ-UHFFFAOYSA-N- Molecular formula
- C24H28N2O9
- Average molar mass
- 488.5 g/mol
- Monoisotopic mass
- 488.17948047
Names & identifiers
- Preferred name
- 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(3-methoxyphenyl)-, ethanedioate (1:2)
- IUPAC
- 2-[1-(3-methoxyphenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;oxalic acid
Names & synonyms
3,4-Dihydro-N,N-dimethyl-1-(3-methoxyphenyl)-3-isoquinolineethanamine ethanedioate (1:2)83658-39-33-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(3-methoxyphenyl)-, ethanedioate (1:2)RefChem:280200DTXSID501003644Oxalic acid--2-[1-(3-methoxyphenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethan-1-amine (2/1)
Database identifiers
- CAS
83658-39-3- PubChem CID
- 3068641
- DTXSID
DTXSID501003644
Properties
Computed structural properties
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…