4-Morpholinoacetophenon

4-Morpholinoacetophenone

HCID 38362CAS 39910-98-0

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Grundinformationen

Standard-SMILES: CC(=O)c1ccc(N2CCOCC2)cc1
InChIKey: AKQWEDMTPCAESO-UHFFFAOYSA-N
Summenformel: C12H15NO2
Durchschnittliche Molmasse: 205,25 g/mol
Monoisotopische Masse: 205,11027872

Namen und Bezeichner

Bevorzugter Name: 4-Morpholinoacetophenone
IUPAC: 1-(4-morpholin-4-ylphenyl)ethanone
Lokaler Name: 4-Morpholinoacetophenon
Englischer Name: 4-MORPHOLINOACETOPHENONE
Summenformel: C12H15NO2
Molmasse: 205.25

Namen und Synonyme

39910-98-04'-Morpholinoacetophenone4-MorpholinoacetophenoneACETOPHENONE, 4'-MORPHOLINO-p-MorpholinoacetophenoneVJ32JDU2T4BRN 1214737EINECS 254-698-9DTXSID30192967RefChem:525788DTXCID70115458254-698-9

Weitere Namen anzeigen

AKOS B022386LABOTEST-BB LT00440858-Morpholinoacetophenone4-MORPHOLINEACETOPHENONE4’-morpholino-acetophenon4''-MORPHOLIONOACETOPHENONE4-Morpholinoacetophenone,99%

1-(4-Morpholinophenyl)ethanoneEthanone, 1-[4-(4-morpholinyl)phenyl]-1-(4-morpholin-4-ylphenyl)ethanoneMFCD000061681-[4-(morpholin-4-yl)phenyl]ethan-1-one4 inverted exclamation mark -Morpholinoacetophenone1-(4-Morpholin-4-yl-phenyl)-ethanone1-(4-morpholinophenyl)ethan-1-one

Datenbank-Bezeichner

CAS: 39910-98-0
PubChem CID: 38362
DTXSID: DTXSID30192967
UNII: VJ32JDU2T4
EC Number: 254-698-9
Nikkaji: J33.807I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 216

Physikochemische Eigenschaften

Schmelzpunkt: 96 · 96-98 °C(lit.)
Siedepunkt: 343.93 °C · 343.93°C (rough estimate)
Dichte: 1.0958 · 1.0958 (rough estimate)
Brechungsindex: 1.516 · 1.5160 (estimate)
storage temp.: Sealed in dry,Room Temperature
pka: 2.23 · 2.23±0.40(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Yellow to light brown
InChI: 1S/C12H15NO2/c1-10(14)11-2-4-12(5-3-11)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3
InChIKey: AKQWEDMTPCAESO-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(cc1)N2CCOCC2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29349990
RTECS-Nr.: AM9486200
risk_code: 36/37/38
Toxizität: mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04795,
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3