3-Isoquinolineethanamine, 3,4-dihydro-1-(3-chlorophenyl)-N,N-dimethyl-, ethanedioate (1:1)
Basic information
- CAS
83658-35-9- Standard SMILES
CN(C)CCC1Cc2ccccc2C(c2cccc(Cl)c2)=N1.O=C(O)C(=O)O- InChIKey
RUSFUKXARWYGHO-UHFFFAOYSA-N- Molecular formula
- C21H23ClN2O4
- Average molar mass
- 402.9 g/mol
- Monoisotopic mass
- 402.1346349
Names & identifiers
- Preferred name
- 3-Isoquinolineethanamine, 3,4-dihydro-1-(3-chlorophenyl)-N,N-dimethyl-, ethanedioate (1:1)
- IUPAC
- 2-[1-(3-chlorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;oxalic acid
Names & synonyms
3,4-Dihydro-1-(3-chlorophenyl)-N,N-dimethyl-3-isoquinolineethanamine ethanedioate (1:1)83658-35-93-Isoquinolineethanamine, 3,4-dihydro-1-(3-chlorophenyl)-N,N-dimethyl-, ethanedioate (1:1)RefChem:280191DTXSID401003641Oxalic acid--2-[1-(3-chlorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethan-1-amine (1/1)
Database identifiers
- CAS
83658-35-9- PubChem CID
- 3068635
- DTXSID
DTXSID401003641
Properties
Computed structural properties
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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