(beta-(2-Pyridyl)ethyl)isoquinoline
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Basic information
- CAS
16994-48-2- Standard SMILES
c1ccc(CCc2nccc3ccccc23)nc1- InChIKey
RSBCTUPEIZFAAB-UHFFFAOYSA-N- Molecular formula
- C16H14N2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.11569846
Names & identifiers
- Preferred name
- (beta-(2-Pyridyl)ethyl)isoquinoline
- IUPAC
- 1-(2-pyridin-2-ylethyl)isoquinoline
- English name
- (beta-(2-pyridyl)ethyl)isoquinoline
- Molecular formula
- C16H14N2
- Molecular weight
- 234.3
Names & synonyms
16994-48-2(beta-(2-Pyridyl)ethyl)isoquinolineBPEIQ(2-(2-Pyridinyl)ethyl)isoquinolineRefChem:698771-(2-pyridin-2-ylethyl)isoquinoline1-(2-(Pyridin-2-yl)ethyl)isoquinoline75366-63-11-[2-(PYRIDIN-2-YL)ETHYL]ISOQUINOLINE(beta-(2-Pirydylo)-etylo)izochinoliny [Polish]ISOQUINOLINE, (2-(2-PYRIDINYL)ETHYL)-(beta-(2-Pirydylo)-etylo)izochinoliny
Show more names
1-(2-(2-Pyridinyl)ethyl)isoquinoline(2-(PYRIDIN-2-YL)ETHYL)ISOQUINOLINEDTXSID90937715Isoquinoline, 1-(2-(2-pyridinyl)ethyl)-
Database identifiers
- CAS
16994-48-2、75366-63-1- PubChem CID
- 53260
- DTXSID
DTXSID90937715
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 375.2 · 375.2±22.0 °C(Predicted)
- Density
- 1.151 · 1.151±0.06 g/cm3(Predicted)
- pka
- 5.63 · 5.63±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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