Basic information
- CAS
4602-81-7- Standard SMILES
CC1=NCCc2cc(O)c(O)cc21- InChIKey
DWHSGRLKLUGKOU-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Overview
1,2-Dehydrosalsolinol is a member of isoquinolines.
Names & identifiers
- Preferred name
- 3,4-Dihydro-1-methyl-6,7-isoquinolinediol
- IUPAC
- 1-methyl-3,4-dihydroisoquinoline-6,7-diol
- English name
- 1,2-dehydrosalsolinol
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
1,2-DehydrosalsolinolDSAL4602-81-71-methyl-3,4-dihydroisoquinoline-6,7-diol3,4-dihydro-1-methyl-6,7-IsoquinolinediolRefChem:910597139080-83-47-Hydroxy-1-methyl-3,4-dihydroisoquinolin-6(2H)-one6,7-Isoquinolinediol, 3,4-dihydro-1-methyl-CHEMBL60503SCHEMBL18932930DTXSID20963486
Show more names
1-methyl-6,7-dihydroxy-3,4-dihydroisoquinoline
CHEBI:178978AKOS024370379ST510059621-methyl-3,4-di-hydro-6,7-isoquinolinediol6,7-dihydroxy-1-methyl-3,4-dihydroisoquinoline1-Methyl-6,7-dihydroxy-3,4-dihydroisoquinolines
Database identifiers
- CAS
4602-81-7- PubChem CID
- 20844
- DTXSID
DTXSID20963486- ChEMBL
CHEMBL60503- ChEBI
CHEBI:178978- Nikkaji
- J418.314B、J531.812B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 232 °C · 232 °C (decomp)(Solv: ethyl ether (60-29-7); methanol (67-56-1))
- Boiling point
- 364.8 · 364.8±42.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 9.52 · 9.52±0.20(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 1,2-Dehydrosalsolinol is a member of isoquinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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