3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-pyridinyl)-, dihydrochloride
Basic information
- CAS
83658-61-1- Standard SMILES
CN(C)CCC1Cc2ccccc2C(c2ccccn2)=N1.Cl.Cl- InChIKey
WEBRCTQOJWKQIG-UHFFFAOYSA-N- Molecular formula
- C18H23Cl2N3
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 351.1269031
Names & identifiers
- Preferred name
- 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-pyridinyl)-, dihydrochloride
- IUPAC
- N,N-dimethyl-2-(1-pyridin-2-yl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride
Names & synonyms
3,4-Dihydro-N,N-dimethyl-1-(2-pyridinyl)-3-isoquinolineethanamine dihydrochloride83658-61-13-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-pyridinyl)-, dihydrochlorideRefChem:280198DTXSID601003661N,N-Dimethyl-2-[1-(pyridin-2-yl)-3,4-dihydroisoquinolin-3-yl]ethan-1-amine--hydrogen chloride (1/2)
Database identifiers
- CAS
83658-61-1- PubChem CID
- 3068675
- DTXSID
DTXSID601003661
Properties
Computed structural properties
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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