4-Morpholinopiperidine

HCID 795724CAS 53617-35-9

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Grundinformationen

Standard-SMILES: C1CC(N2CCOCC2)CCN1
InChIKey: YYBXNWIRMJXEQJ-UHFFFAOYSA-N
Summenformel: C9H18N2O
Durchschnittliche Molmasse: 170,25 g/mol
Monoisotopische Masse: 170,1419132

Namen und Bezeichner

Bevorzugter Name: 4-Morpholinopiperidine
IUPAC: 4-piperidin-4-ylmorpholine
Englischer Name: 4-Morpholinopiperidine
Summenformel: C9H18N2O
Molmasse: 170.25

Namen und Synonyme

53617-35-94-Morpholinopiperidine4-(piperidin-4-yl)morpholineDTXSID40355283RefChem:525791DTXCID10306343627-580-34-(Piperidin-4-yl)-morpholine4-piperidin-4-ylmorpholine4-Piperidin-4-yl-morpholine4-(4-piperidyl)morpholine4-morpholino piperidine

Weitere Namen anzeigen

AKOS BB-9182CHEMBRDG-BB 4004473TIMTEC-BB SBB0100914-Morpholino-piperidinAlectinib Impurity 27Morpholine,4-(4-piperidinyl)-

MFCD032747334-(4-Piperidinyl) morpholine4-(Morpholin-4-yl)piperidine4-(4-piperidinyl)morpholine4-Morpholinopiperidine, 98%4-(piperidine-4-yl)-morpholineSY0315414-piperidin-4-ylmorpholine dihydrochloride

Datenbank-Bezeichner

CAS: 53617-35-9
PubChem CID: 795724
DTXSID: DTXSID40355283
ChEMBL: CHEMBL4533217
UNII: 24W2YR5EAM
EC Number: 627-580-3
Nikkaji: J2.972.216A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 24,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 128

Physikochemische Eigenschaften

Schmelzpunkt: 40 · 40-43 °C(lit.)
Siedepunkt: 100 · 100-115 °C0.15-0.20 mm Hg(lit.)
Dichte: 1.033 · 1.033±0.06 g/cm3(Predicted)
Dampfdruck: 0.63 · 0.63-4.58Pa at 25-45℃
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Solid
pka: 10.21 · 10.21±0.10(Predicted)
InChI: InChI=1S/C9H18N2O/c1-3-10-4-2-9(1)11-5-7-12-8-6-11/h9-10H,1-8H2
InChIKey: YYBXNWIRMJXEQJ-UHFFFAOYSA-N
SMILES: N1(C2CCNCC2)CCOCC1
LogP: 0.3 at · 0.3 at 25℃ and pH11

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (95.2%): 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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 16-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20339

Hazard Classes and CategoriesSkin Irrit. 2 (95.2%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 36/37/38-20/21/22
hazard_code: Xi
safety_code: 26-36-36/37/39
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for synthesis of:Selective adenosine A2A receptor antagonistsAntidepressentsSmall molecules that restore E-cadherin expression and reduce invasion in colorectal carcinoma cellsOrally bioavailable P2Y12 antagonists for inhibition of platelet aggregationQuinoline derivatives with antimicrobial activityAntimalarials