6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline

HCID 15623
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Basic information

CAS
1745-07-9
Standard SMILES
COc1cc2c(cc1OC)CNCC2
InChIKey
CEIXWJHURKEBMQ-UHFFFAOYSA-N
Molecular formula
C11H15NO2
Average molar mass
193.24 g/mol
Monoisotopic mass
193.11027872

Overview

Heliamine is an isoquinoline that is 1,2,3,4-tetrahydroisoquinoline substituted by methoxy groups at positions 6 and 7. It has a role as a plant metabolite. It is an isoquinoline alkaloid, a member of isoquinolines, an aromatic ether and a diether. It is functionally related to a norsalsolinol. It is a conjugate base of a heliamine(1+).

Names & identifiers

Preferred name
6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline
IUPAC
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
English name
6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline
Molecular formula
C11H15NO2
Molecular weight
193.24

Names & synonyms

6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-9Heliamine1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinolineDTXSID70169835RefChem:145459DTXCID0092326814-740-4ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-MFCD007778496,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolineBRN 0158809
Show more names
AKOS 236-89AKOS BC-0705AKOS BBS-00006335TIMTEC-BB SBB0055511H-Inden-1-amine, 2,3-dihydro-, (R)-6,7-Dimethoxy-1,2,3,4-tertahydroisoquinoline1,2,3,4-tetrahydro-6,7-dimethoxy-isoquinolin
CHEMBL12367CHEBI:5637F2167-0008Oprea1_7196095-21-04-00478 (Beilstein Handbook Reference)SCHEMBL329913SCHEMBL443555orb3027245

Database identifiers

CAS
1745-07-9
PubChem CID
15623
DTXSID
DTXSID70169835
ChEMBL
CHEMBL12367
ChEBI
CHEBI:5637
EC Number
814-740-4
Nikkaji
J263.656E

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
30.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point
262 °C · 262 °C
Boiling point
175 °C · 175 °C(Press: 10 Torr)
Density
1.071 · 1.071±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
Chloroform (Slightly), Methanol (Slightly)
pka
9.01 · 9.01±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
Toxicity
mouse,LDLo,subcutaneous,180mg/kg (180mg/kg),AUTONOMIC NERVOUS SYSTEM: SYMPATHOMIMETIC,"Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 244, 1948.
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn

Chemistry & industry

Applications

OccurrenceA simple isoquinoline alkaloid, heliamine has been isolated from Pachycereus pectenaboriginum.

Uses6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline is a useful reactant in organic reactions and synthesis.

Upstream & downstream products

Suppliers80 total

上海康恩博医药科技有限公司17510465506 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Additional notes

DefinitionChEBI: Heliamine is a member of isoquinolines.

Related reactions

76 records
New reaction record

Compound notes

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