2,6-Dimethylmorpholine, cis- (HCID 641500)

Namen und Bezeichner

Bevorzugter Name: 2,6-Dimethylmorpholine, cis-
IUPAC: (2S,6R)-2,6-dimethylmorpholine
Lokaler Name: cis-2,6-Dimethylmorpholin
Englischer Name: cis-2,6-Dimethylmorpholine
Summenformel: C6H13NO
Molmasse: 115.17

Namen und Synonyme

cis-2,6-Dimethylmorpholine6485-55-82,6-Dimethylmorpholine, cis-Morpholine, 2,6-dimethyl-, cis-2,6-cis-dimethylmorpholineMORPHOLINE, 2,6-DIMETHYL-, (2R,6S)-REL-VWD860P007EINECS 229-353-0EC 229-353-02,6-DIMETHYLMORPHOLINE, MESO-RefChem:445725229-353-0

Weitere Namen anzeigen

Cis-2,6-MethylmorpolineP-methoxy-alpha-BromoacetophenoneCdmm750 graMs6-DiMethylMorpholinecis-2,6-Dimethylmorphinecis-2,6-Dimethylmorpholincis-2,6-Dimethylmorpoline

(2R,6S)-2,6-dimethylmorpholine(2S,6R)-2,6-dimethylmorpholineMFCD00078428morpholine, 2,6-dimethyl-, (2R,6S)-2098200-15-6Cic-2,6-DimethylmorpholineUNII-VWD860P007(2R,6S)-rel-2,6-Dimethylmorpholine; (2R,6S)-2,6-Dimethylmorpholine; (2R,6S)-2,6-Dimethylmorpholine; 2,6-cis-Dimethylmorpholine; cis-(2R,6S)-2,6-Dimethylmorpholine; cis-2,6-Dimethylmorpholine

Datenbank-Bezeichner

CAS: 6485-55-8
PubChem CID: 641500
DTXSID: DTXSID00896844
UNII: VWD860P007
EC Number: 229-353-0
Nikkaji: J225.149C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 21,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 66

Physikochemische Eigenschaften

Schmelzpunkt: -85 °C · -85 °C
Siedepunkt: 140 · 140-142 °C
Dichte: 0.93 · 0.93
Dampfdruck: 3.38 · 3.38-5.4hPa at 15.1-21.9℃
Brechungsindex: 1.445 · 1.445-1.447
Flammpunkt: 41 °C · 41 °C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform (Sparingly), Dichloromethane (Sparingly), Methanol (Slightly)
Aggregatzustand: Liquid
pka: 9.04 · 9.04±0.60(Predicted)
Farbe: Clear colorless
BRN: 878182 · 878182
InChI: InChI=1/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3/t5-,6+
InChIKey: HNVIQLPOGUDBSU-OLQVQODUNA-N
SMILES: N1C[C@H](C)O[C@H](C)C1 |&1:2,5,r|
LogP: -0.15 at · -0.15 at 25℃
CAS Datenbank: 6485 · 6485-55-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 0.6% (1 of 174) of reports.

Danger

H226 (98.9%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (94.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (94.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (97.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 174 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 174 reports by companies.；There are 12 notifications provided by 173 of 174 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 28-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12344

Hazard Classes and CategoriesFlam. Liq. 3 (98.9%)；Acute Tox. 4 (94.3%)；Acute Tox. 4 (97.7%)；Skin Corr. 1B (94.8%)；Eye Dam. 1 (97.1%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 28-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12344

Sicherheitsdaten

ridadr: 1993
hs_code: 29339900
RTECS-Nr.: QE1750000
risk_code: 34-21/22-10-41-37/38-22
hazard_code: C,Xn
safety_code: 45-36/37/39-26-23-39
hazard_class: 3
packing_group: III

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Anwendungen

VerwendenCis-2,6-Dimethylmorpholine is used in the synthesis of p38α MAP kinase inhibitors used in the treatment of autoimmune diseases. Also used towards the synthesis of potent agonists and antagonists of 5-HT 4 receptors.