5,6,7,8-Tetrahydrochinolin

5,6,7,8-Tetrahydroquinoline

HCID 66335CAS 10500-57-9

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Grundinformationen

Standard-SMILES: c1cnc2c(c1)CCCC2
InChIKey: YQDGQEKUTLYWJU-UHFFFAOYSA-N
Summenformel: C9H11N
Durchschnittliche Molmasse: 133,19 g/mol
Monoisotopische Masse: 133,08914935

Überblick

C5a receptor antagonist; structure in first source

Namen und Bezeichner

Bevorzugter Name: 5,6,7,8-Tetrahydroquinoline
IUPAC: 5,6,7,8-tetrahydroquinoline
Lokaler Name: 5,6,7,8-Tetrahydrochinolin
Englischer Name: 5,6,7,8-Tetrahydroquinoline
Summenformel: C9H11N
Molmasse: 133.19

Namen und Synonyme

5,6,7,8-Tetrahydroquinoline10500-57-9L786AAG56HNSC-241127DTXSID40146911RefChem:101105DTXCID6069402234-030-22,3-Cyclohexeno pyridineQuinoline, 5,6,7,8-tetrahydro-5,6,7,8-Tetra-hydroquinolineMFCD00006734

Weitere Namen anzeigen

5,6,7,8-Tetrahydroquinoline ,98%5,6,7,8- fourhydrogenation ofquinolineNSC 24112725G/100G/1KG5,6,7,8-Tetrahydroquino2,3-CYCLOHEXANO PYRIDINE5,6,7,8-TetrahydroquinoLquinoline,5,6,7,8-tetrahydro-

5,6,7,8-TETRAHYDRO-QUINOLINEUNII-L786AAG56H2,3-CyclohexenopyridineEINECS 234-030-2CS-D1679AKOS004910439T1150Z1201617100

Datenbank-Bezeichner

CAS: 10500-57-9
PubChem CID: 66335
DTXSID: DTXSID40146911
UNII: L786AAG56H
EC Number: 234-030-2
Nikkaji: J147.226G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 111

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Quinolines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physical DescriptionLiquid; [TCI America MSDS]

Physikochemische Eigenschaften

Siedepunkt: 238 °C · 238°C
Dichte: 1 · 1,08 g/cm3
Brechungsindex: 1.542 to · 1.5420 to 1.5450
Flammpunkt: 90 °C · 90°C
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly), DMSO (Sparingly) Methanol (Slightly)
Aggregatzustand: Oil
pka: 6.3 · 6.30±0.20(Predicted)
Farbe: Colourless
Wichte: 1.0341 · 1.0341.0304 (20/4℃)
InChI: InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7H,1-2,4,6H2
InChIKey: YQDGQEKUTLYWJU-UHFFFAOYSA-N
SMILES: N1C2=C(CCCC2)C=CC=1
CAS Datenbank: 10500 · 10500-57-9(CAS DataBase Reference)
NIST chemische Informationen: 5 · Quinoline, 5,6,7,8-tetrahydro-(10500-57-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 11.1% (1 of 9) of reports.

Warning

H302 (77.8%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.