3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(3-fluorophenyl)-, hydrochloride (4:5)
Basic information
- CAS
83658-30-4- Standard SMILES
CN(C)CCC1Cc2ccccc2C(c2cccc(F)c2)=N1.CN(C)CCC1Cc2ccccc2C(c2cccc(F)c2)=N1.CN(C)CCC1Cc2ccccc2C(c2cccc(F)c2)=N1.CN(C)CCC1Cc2ccccc2C(c2cccc(F)c2)=N1.Cl.Cl.Cl.Cl.Cl- InChIKey
HMHPYTWGMIHKGF-UHFFFAOYSA-N- Molecular formula
- C76H89Cl5F4N8
- Average molar mass
- 1,367.8 g/mol
- Monoisotopic mass
- 1,364.558896
Names & identifiers
- Preferred name
- 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(3-fluorophenyl)-, hydrochloride (4:5)
- IUPAC
- tetrakis(2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine);pentahydrochloride
Names & synonyms
3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(3-fluorophenyl)-, hydrochloride (4:5)83658-30-4RefChem:10680803,4-Dihydro-N,N-dimethyl-1-(3-fluorophenyl)-3-isoquinolineethanamine hydrochloride (4:5)
Database identifiers
- CAS
83658-30-4- PubChem CID
- 3068629
Properties
Computed structural properties
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 16
- Heavy atoms
- 93
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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