Basic information
- CAS
4602-73-7- Standard SMILES
COc1cc2c(cc1O)C=NCC2- InChIKey
UQBWYWCIBNWMPI-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 3,4-Dihydro-6-methoxy-7-isoquinolinol
- IUPAC
- 6-methoxy-3,4-dihydroisoquinolin-7-ol
- English name
- 7-Hydroxy-6-methoxy-3,4-dihydroisoquinoline
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
7-HYDROXY-6-METHOXY-3,4-DIHYDROISOQUINOLINE6-Methoxy-7-hydroxy-3,4-dihydroisoquinoline6-Methoxy-3,4-dihydro-7-isoquinolinolUNII-6NSL0GBQ6T6NSL0GBQ6T7-Isoquinolinol, 3,4-dihydro-6-methoxy-NSC 627589NSC-6275893,4-Dihydro-6-methoxy-7-isoquinolinolDTXSID20196691RefChem:198065DTXCID60119182
Show more names
Aaptamine Impurity 1Aprataxin impurities 1Tetrabenazine Impurity 356-Methoxy-7-hydroxy-3,4-dihydro-isoquinoline7-Hydroxy-6-methoxy-3,4-dihydroisoquinoline,98%7-HYDROXY-6-METHOXY-3,4-DIHYDROISOQUINOLINE 98%
4602-73-76-methoxy-3,4-dihydroisoquinolin-7-olMFCD001435173,4-Dihydro-7-hydroxy-6-methoxyisoquinolineNSC627589AC-9613RTE2_000001CS-11589
Database identifiers
- CAS
4602-73-7- PubChem CID
- 363043
- DTXSID
DTXSID20196691- ChEMBL
CHEMBL1983724- UNII
- 6NSL0GBQ6T
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 187 · 187-191 °C
- Boiling point
- 356 · 356.0±42.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.73 · 9.73±0.20(Predicted)
- color
- Dark Green to Brown
- Water Solubility
- SOLUBLE IN HOT WATER
- CAS DataBase Reference
- 4602 · 4602-73-7
- FDA UNII
- 6 NSL0GBQ6T · 6NSL0GBQ6T
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
Safety & regulation
Safety data
- hs_code
- 29334990
- risk_code
- 36/38-21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37/39-26
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses7-Hydroxy-6-methoxy-3,4-dihydroisoquinoline acts as a reagent for the synthesis and dual dopamine D1 receptor agonist/D2 receptor antagonist activity, and SAR of tetrahydroisoquinolines for treating schizophrenia.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers70 total
上海策嵘生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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