6-Methoxy-1,2,3,4-tetrahydroisoquinoline

HCID 39356CAS 42923-77-3
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc2c(c1)CCNC2
InChIKey
YYTAYINRPUJPNH-UHFFFAOYSA-N
Molecular formula
C10H13NO
Average molar mass
163.22 g/mol
Monoisotopic mass
163.09971404

Overview

6-methoxy-1,2,3,4-tetrahydroisoquinoline has been reported in Mammillaria longimamma with data available.

Names & identifiers

Preferred name
6-Methoxy-1,2,3,4-tetrahydroisoquinoline
IUPAC
6-methoxy-1,2,3,4-tetrahydroisoquinoline
English name
6-Methoxy-1,2,3,4-tetrahydro-isoquinoline
Molecular formula
C10H13NO
Molecular weight
163.22

Names & synonyms

6-Methoxy-1,2,3,4-tetrahydroisoquinolineLongimammatineISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6-METHOXY-BRN 0131274DTXSID601955675-21-02-00326 (Beilstein Handbook Reference)RefChem:104903DTXCID00118058824-738-5YYTAYINRPUJPNH-UHFFFAOYSA-N42923-77-36-Methoxy-1,2,3,4-tetrahydro-isoquinoline
Show more names
m901046-Methoxy-1AKOS BC-2988CHEMBRDG-BB 41019174-tetrahydroisoquinolin6-Methoxy-1,2,3,4-tetrahydroisoquinolin6-Methoxy-1,2,3,4-tetrahydroisochinolin1,2,3,4-tetrahydro-6-methoxy-isoquinolin
1,2,3,4-Tetrahydro-6-methoxyisoquinolineMFCD01717129CHEMBL68977CS-B09566-methoxy-3,4-dihydro-1H-isoquinolineNCGC00179849-016methoxy-1,2,3,4-tetrahydroisoquinoline6-methoxy-1,2,3,4-tetrahydro-isoquinoline, AldrichCPR

Database identifiers

CAS
42923-77-3
PubChem CID
39356
DTXSID
DTXSID60195567
ChEMBL
CHEMBL68977
EC Number
824-738-5
Nikkaji
J690.643E

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
21.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Boiling point
144 °C/9mmHg · 144°C/9mmHg(lit.)
Density
1.044 · 1.044±0.06 g/cm3(Predicted)
refractive index
1.566 to · 1.5660 to 1.5700
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility
Chloroform (Slightly), Methanol (Slightly, Sonicated)
form
Pale Yellow to Yellow Semi-Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

rtecs
NX5082000
hs_code
2933499090
risk_code
22-51
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn

Chemistry & industry

Applications

Uses6-Methoxy-1,2,3,4-tetrahydroisoquinoline is used in the synthesis of novel spirobicyclic Artemisinin (A777500) analogues for anti-tumor activity.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

55 records
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Linked notes

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