3,4-Dihydro-6,7-dimethoxy-1-methylisoquinoline
Basic information
- CAS
4721-98-6- Standard SMILES
COc1cc2c(cc1OC)C(C)=NCC2- InChIKey
VASUQTGZAPZKFK-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Overview
6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline is a member of isoquinolines.
Names & identifiers
- Preferred name
- 3,4-Dihydro-6,7-dimethoxy-1-methylisoquinoline
- IUPAC
- 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline
- English name
- 1-Methyl-6,7-dimethoxy-3,4-dihydroisoquinoline
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.25
Names & synonyms
4721-98-63,4-Dihydro-6,7-dimethoxy-1-methylisoquinolineDTXSID80197068RefChem:1065760DTXCID901195596,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline1-Methyl-6,7-dimethoxy-3,4-dihydroisoquinolineDehydrosalsolidineMFCD00040276Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-methyl-CHEMBL2910836,7-Dimethoxy-1-methyl-3,4-dihydro-isoquinoline
Show more names
Compound Fr13057AKOS BBS-00006796
1-Methyl-6,7-dimethoxy-3,4-dihydroisoquinoline, 99+%Maybridge1_0010683,4-Dihydro-1-methyl-6,7-dimethoxyisoquinolineOprea1_325770MLS001049069orb3170025SCHEMBL1148346SCHEMBL33738870
Database identifiers
- CAS
4721-98-6- PubChem CID
- 22652
- DTXSID
DTXSID80197068- ChEMBL
CHEMBL291083- ChEBI
CHEBI:181377- Nikkaji
- J80.889J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 30.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 103 · 103-106 °C
- Boiling point
- 343.93 °C · 343.93°C (rough estimate)
- Density
- 1.0958 · 1.0958 (rough estimate)
- refractive index
- 1.516 · 1.5160 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 6.39 · 6.39±0.20(Predicted)
- form
- Crystalline Powder
- color
- Light yellow to beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 36 · 36/37/39-26-22
- HS Code
- 29334990 · 29334990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29334990
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37/39-26-22
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280
Chemistry & industry
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline is a member of isoquinolines.
Related reactions
14 records
Compound notes
Loading…