3-Fluoro-4-morpholinoaniline

HCID 1485330CAS 93246-53-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Nc1ccc(N2CCOCC2)c(F)c1
InChIKey: FQGIBHQUVCGEAC-UHFFFAOYSA-N
Summenformel: C10H13FN2O
Durchschnittliche Molmasse: 196,22 g/mol
Monoisotopische Masse: 196,10119126

Überblick

3-Fluoro-4-morpholinoaniline is a member of morpholines.

Namen und Bezeichner

Bevorzugter Name: 3-Fluoro-4-morpholinoaniline
IUPAC: 3-fluoro-4-morpholin-4-ylaniline
Englischer Name: 3-FLUORO-4-MORPHOLIN-4-YL-PHENYLAMINE
Summenformel: C10H13FN2O
Molmasse: 196.22

Namen und Synonyme

3-fluoro-4-morpholinoaniline93246-53-83-fluoro-4-(4-morpholinyl)anilineBENZENAMINE, 3-FLUORO-4-(4-MORPHOLINYL)-n-(4-amino-2-fluorophenyl)morpholineS59MCD5UHX3-fluoro-4-(4-morpholinyl)benzenamineDTXSID40363323RefChem:93916DTXCID40314370676-003-13-Fluoro-4-morpholin-4-yl-phenylamine

Weitere Namen anzeigen

AKOS B033533TIMTEC-BB SBB010944Linezolid Impurity 28Linezolid Intermediate 13-Fluoro-4-morpholinoanili3-Fluoro-4-morpholin-4-yl-

3-Fluoro-4-morpholinylaniline3-fluoro-4-(morpholin-4-yl)aniline3-Fluoro-4-morpholin-aniline3-fluoro-4-morpholin-4-ylaniline3-Fluoro-4-(4-morpholinyl) BenzenamineMFCD025712703-fluoro-4-morpholino-anilineLinezolid Amine Impurity

Datenbank-Bezeichner

CAS: 93246-53-8
PubChem CID: 1485330
DTXSID: DTXSID40363323
ChEBI: CHEBI:182776
UNII: S59MCD5UHX
EC Number: 676-003-1
Nikkaji: J1.141.541E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 38,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 185

Physikochemische Eigenschaften

Schmelzpunkt: 121 · 121-123°C
Siedepunkt: 364.9 · 364.9±42.0 °C(Predicted)
Dichte: 1.232 · 1.232±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform, Methanol
Aggregatzustand: Solid
pka: 6.53 · 6.53±0.40(Predicted)
Farbe: Off-White to Brown
InChI: InChI=1S/C10H13FN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
InChIKey: FQGIBHQUVCGEAC-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(N2CCOCC2)C(F)=C1
CAS Datenbank: 93246 · 93246-53-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (16.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.