Methyl-1,2,3,4-tetrahydro-6-chinolylether

Quinoline, 1,2,3,4-tetrahydro-6-methoxy-

HCID 67113CAS 120-15-0

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Grundinformationen

Standard-SMILES: COc1ccc2c(c1)CCCN2
InChIKey: FRXSZNDVFUDTIR-UHFFFAOYSA-N
Summenformel: C10H13NO
Durchschnittliche Molmasse: 163,22 g/mol
Monoisotopische Masse: 163,09971404

Namen und Bezeichner

Bevorzugter Name: Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
IUPAC: 6-methoxy-1,2,3,4-tetrahydroquinoline
Lokaler Name: Methyl-1,2,3,4-tetrahydro-6-chinolylether
Englischer Name: 6-METHOXY-1,2,3,4-TETRAHYDROQUINOLINE
Summenformel: C10H13NO
Molmasse: 163.22

Namen und Synonyme

6-Methoxy-1,2,3,4-tetrahydroquinoline120-15-0ThallinThallineQuinoline, 1,2,3,4-tetrahydro-6-methoxy-6-Methoxytetrahydroquinoline1,2,3,4-Tetrahydro-6-methoxyquinolineEA6AYU7Y78Methyl 1,2,3,4-tetrahydro-6-quinolyl etherEINECS 204-374-8NSC 49188NSC-49188

Weitere Namen anzeigen

AKOS BB-9796TIMTEC-BB SBB002326SALOR-INT L308625-1EADebrisoquine Impurity 116-Methoxy-1,2,3,4-tetrahydroquinoline 99%

Quinoline l,2,3,4-tetrahydro-6-methoxyDTXSID3059505RefChem:871981DTXCID7033529204-374-86-Methoxy-1,2,3,4-tetrahydro-quinolineMFCD00090494UNII-EA6AYU7Y78

Datenbank-Bezeichner

CAS: 120-15-0
PubChem CID: 67113
DTXSID: DTXSID3059505
UNII: EA6AYU7Y78
EC Number: 204-374-8
Nikkaji: J5.320A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
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

Physikochemische Eigenschaften

Schmelzpunkt: 37 · 37-41 °C (lit.)
Siedepunkt: 290.31 °C · 290.31°C (rough estimate)
Dichte: 1.0508 · 1.0508 (rough estimate)
Brechungsindex: 1.5718 · 1.5718 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 5.95 · 5.95±0.20(Predicted)
InChI: 1S/C10H13NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3
InChIKey: FRXSZNDVFUDTIR-UHFFFAOYSA-N
SMILES: COc1ccc2NCCCc2c1
CAS Datenbank: 120 · 120-15-0(CAS DataBase Reference)
EPA chemische Informationen: 1 · Quinoline, 1,2,3,4-tetrahydro-6-methoxy- (120-15-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 2933499090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationQuinoline, 1,2,3,4-tetrahydro-6-methoxy-: INACTIVE

Anwendungen

Verwenden1,2,3,4-Tetrahydro-6-methoxyquinoline is used as chemical reagents, organic intermediates, fine chemicals, pharmaceutical research and development.