3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol
Basic information
- CAS
184375-93-7- Standard SMILES
CC1(C)C(O)c2ccccc2C=[N+]1[O-]- InChIKey
KDBJLPJKUYFPPC-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- 3,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol
- IUPAC
- 3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium-4-ol
- English name
- 3,3-dimethyl-2-oxido-4H-isoquinolin-4-ol
- Molecular formula
- C11H13NO2
- Molecular weight
- 191.23
Names & synonyms
184375-93-7RefChem:1065624DTXSID60939827DTXCID0013683163,3-Dimethyl-2-oxo-3,4-dihydro-2lambda~5~-isoquinolin-4-ol3,3-Dimethyl-3,4-dihydroisoquinolin-4-ol N-oxide3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium-4-ol3,4-Dihydro-3,3-dimethyl-4-isoquinolinol 2-oxide4-Isoquinolinol, 3,4-dihydro-3,3-dimethyl-, 2-oxide3,3-DIMETHYL-2-OXIDO-4H-ISOQUINOLIN-4-OLCHEMBL147944SCHEMBL7021260
Show more names
dimethyl-3,4-dihydroisoquinolin-4-ol N-oxide
Database identifiers
- CAS
184375-93-7- PubChem CID
- 3075488
- DTXSID
DTXSID60939827- ChEMBL
CHEMBL147944- Nikkaji
- J807.233G
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 348.1 · 348.1±52.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 12.59 · 12.59±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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