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

HCID 39356CAS 42923-77-3

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Grundinformationen

Standard-SMILES: COc1ccc2c(c1)CCNC2
InChIKey: YYTAYINRPUJPNH-UHFFFAOYSA-N
Summenformel: C10H13NO
Durchschnittliche Molmasse: 163,22 g/mol
Monoisotopische Masse: 163,09971404

Überblick

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

Namen und Bezeichner

Bevorzugter Name: 6-Methoxy-1,2,3,4-tetrahydroisoquinoline
IUPAC: 6-methoxy-1,2,3,4-tetrahydroisoquinoline
Englischer Name: 6-Methoxy-1,2,3,4-tetrahydro-isoquinoline
Summenformel: C10H13NO
Molmasse: 163.22

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 21,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 149

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Siedepunkt: 144 °C/9mmHg · 144°C/9mmHg(lit.)
Dichte: 1.044 · 1.044±0.06 g/cm3(Predicted)
Brechungsindex: 1.566 to · 1.5660 to 1.5700
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly, Sonicated)
Aggregatzustand: Pale Yellow to Yellow Semi-Solid
pka: 10.02 · 10.02±0.20(Predicted)
Farbe: Colorless to Light orange to Yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Sicherheitsdaten

hs_code: 2933499090
RTECS-Nr.: NX5082000
risk_code: 22-51
hazard_code: Xn
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden6-Methoxy-1,2,3,4-tetrahydroisoquinoline is used in the synthesis of novel spirobicyclic Artemisinin (A777500) analogues for anti-tumor activity.