Decahydrochinolin

Decahydroquinoline

HCID 92911CAS 2051-28-7

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Grundinformationen

Standard-SMILES: C1CCC2NCCCC2C1
InChIKey: POTIYWUALSJREP-UHFFFAOYSA-N
Summenformel: C9H17N
Durchschnittliche Molmasse: 139,24 g/mol
Monoisotopische Masse: 139,13609954

Überblick

See also: Quinoline, decahydro-, (4aR,8aS)-rel- (annotation moved to).

Namen und Bezeichner

Bevorzugter Name: Decahydroquinoline
IUPAC: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
Lokaler Name: Decahydrochinolin
Englischer Name: Decahydroquinoline
Summenformel: C9H17N
Molmasse: 139.24

Namen und Synonyme

Decahydroquinoline2051-28-7Quinoline, decahydro-DTXSID10871203RefChem:131169DTXCID50818874218-116-71,2,3,4,4a,5,6,7,8,8a-decahydroquinoline2-Azabicyclo[4.4.0]decaneMFCD00006695Quinoline, decahydro-, trans-767-92-0

Weitere Namen anzeigen

QUINOLIDINEdecahydro-quinolin(4aR,8aR)-Decahydroquinoline(4aβ,8aβ)-DecahydroquinolineDECAHYDROQUINOLINE 2051-28-7DECAHYDROQUINOLINE(CIS+TRANS)Decahydroquinoline in isooctane

SCHEMBL13447AKOS000121442CS-W016473AC-16185D2936DL-trans-Decahydroquinoline(4aR,8aS)-decahydroquinolinedecahydro-quinoline

Datenbank-Bezeichner

CAS: 2051-28-7
PubChem CID: 92911
DTXSID: DTXSID10871203
EC Number: 218-116-7
Nikkaji: J13.766I

Eigenschaften

Berechnete Struktureigenschaften

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

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Quinolines

Physical DescriptionColorless hygroscopic liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 37.5 · 37.5-45 °C
Siedepunkt: 245.24 °C · 245.24°C (rough estimate)
Dichte: 0.933 g/mL · 0.933 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.4916(lit.)
Flammpunkt: 155 °F · 155 °F
storage temp.: RT, protect from light
pka: 10.85 · 10.85±0.10(Predicted)
Aggregatzustand: Melting Solid
Wichte: 0.933 · 0.933
Farbe: Clear colorless to light yellow
InChI: 1S/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2
InChIKey: POTIYWUALSJREP-UHFFFAOYSA-N
SMILES: C1CCC2NCCCC2C1
CAS Datenbank: 2051 · 2051-28-7(CAS DataBase Reference)
NIST chemische Informationen: Quinoline, decahydro-(2051-28-7)
EPA chemische Informationen: Quinoline, decahydro- (2051-28-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.