6-Methoxy-1,2,3,4-tetrahydroisoquinoline
Basic information
- CAS
42923-77-3- 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
- Formal charge
- 0
- Complexity
- 149
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
- pka
- 10.02 · 10.02±0.20(Predicted)
- color
- Colorless to Light orange to Yellow
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
Upstream raw materials
Downstream products
Related reactions
55 records
Compound notes
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