4-(2-Propyn-1-yl)morpholine

HCID 412941

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Grundinformationen

CAS: 5799-76-8
Standard-SMILES: C#CCN1CCOCC1
InChIKey: OKDZHAQIKCVKFE-UHFFFAOYSA-N
Summenformel: C7H11NO
Durchschnittliche Molmasse: 125,17 g/mol
Monoisotopische Masse: 125,08406397

Namen und Bezeichner

Bevorzugter Name: 4-(2-Propyn-1-yl)morpholine
IUPAC: 4-prop-2-ynylmorpholine
Englischer Name: 1-(Prop-2-yn-1-yl)pyrrolidine
Summenformel: C7H11NO
Molmasse: 125.17

Namen und Synonyme

N-Propargylmorpholine4-(2-propyn-1-yl)MorpholineRefChem:512745611-607-04-(prop-2-yn-1-yl)morpholine5799-76-84-prop-2-yn-1-ylmorpholine4-prop-2-ynylmorpholine1-Morpholino-2-propyneMFCD005109194-(Prop-2-ynyl)morpholine4-Propargylmorpholine

Weitere Namen anzeigen

RMA-921-(N-Morpholino)-2-propyne3-(N-Morpholinyl)-1-Propyne1-PROP-2-YN-1-YLPYRROLIDINE

4-Prop-2-ynyl-morpholine3-(4-morpholinyl)-1-propynemorpholine, 4-(2-propynyl)-SCHEMBL1245983N-PROP-2-YNYL-MORPHOLINEAKOS000590865AB06365AS-19740

Datenbank-Bezeichner

CAS: 5799-76-8
PubChem CID: 412941
DTXSID: DTXSID50902929
ChEMBL: CHEMBL1190771
UNII: 3R4VJV3MVR
EC Number: 611-607-0
Nikkaji: J1.869.339I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 12,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 118

Physikochemische Eigenschaften

Siedepunkt: 186 °C · 186°C(lit.)
Dichte: 1.0009 g/cm3 · 1.0009 g/cm3
Brechungsindex: 1.473 to · 1.4730 to 1.4770
storage temp.: 2 · 2-8°C
Aggregatzustand: clear liquid
pka: 5.14 · 5.14±0.10(Predicted)
Farbe: Colorless to Light yellow
InChI: InChI=1S/C7H11NO/c1-2-3-8-4-6-9-7-5-8/h1H,3-7H2
InChIKey: OKDZHAQIKCVKFE-UHFFFAOYSA-N
SMILES: N1(CC#C)CCOCC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

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