1-Isopropyl-3,4-dihydroisoquinoline-6,7-diol
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Basic information
- CAS
447433-43-4- Standard SMILES
CC(C)C1=NCCc2cc(O)c(O)cc21- InChIKey
BGWWZJVIBUPAAB-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
Names & identifiers
- Preferred name
- 1-Isopropyl-3,4-dihydroisoquinoline-6,7-diol
- IUPAC
- 1-propan-2-yl-3,4-dihydroisoquinoline-6,7-diol
- English name
- 6,7-Isoquinolinediol, 3,4-dihydro-1-(1-methylethyl)- (9CI)
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.25
Names & synonyms
447433-43-41-Isopropyl-3,4-dihydroisoquinoline-6,7-diolChemDiv1_028215MixCom6_000407Oprea1_583332HMS667C116,7-Isoquinolinediol, 3,4-dihydro-1-(1-methylethyl)-6,7-Isoquinolinediol, 3,4-dihydro-1-(1-methylethyl)- (9CI)
Database identifiers
- CAS
447433-43-4
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 375.2 · 375.2±42.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 9.47 · 9.47±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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