3,4-Dihydro-6,7-dimethoxy-1-methylisoquinoline

HCID 22652CAS 4721-98-6
Substructure searchFind similar structures

Basic information

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

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)

Safety & regulation

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

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers42 total

临沂锎源化学科技有限公司13188735557 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]

Additional notes

DefinitionChEBI: 6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline is a member of isoquinolines.

Related reactions

14 records
New reaction record

Linked notes

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