Basic information
- CAS
601462-59-3- Standard SMILES
Cc1cccnc1C1NCCc2cc(O)ccc21- InChIKey
QNCOEDSGEFGFNB-UHFFFAOYSA-N- Molecular formula
- C15H16N2O
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.12626314
Names & identifiers
- Preferred name
- 1-(3-Methylpyridin-2-yl)-1,2,3,4-tetrahydroisoquinolin-6-ol
- IUPAC
- 1-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
- English name
- 6-Isoquinolinol,1,2,3,4-tetrahydro-1-(3-methyl-2-pyridinyl)-(9CI)
- Molecular formula
- C15H16N2O
- Molecular weight
- 240.3
Names & synonyms
601462-59-31-(3-methylpyridin-2-yl)-1,2,3,4-tetrahydroisoquinolin-6-ol1,2,3,4-tetrahydro-1-(3-methyl-2-pyridinyl)-6-isoquinolinolDTXSID60398531DB-2842936-ISOQUINOLINOL, 1,2,3,4-TETRAHYDRO-1-(3-METHYL-2-PYRIDINYL)-6-Isoquinolinol,1,2,3,4-tetrahydro-1-(3-methyl-2-pyridinyl)-(9CI)
Database identifiers
- CAS
601462-59-3- PubChem CID
- 4013476
- DTXSID
DTXSID60398531
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 445.5 · 445.5±45.0 °C(Predicted)
- Density
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- pka
- 9.75 · 9.75±0.40(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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