N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine

HCID 136624CAS 784-57-6

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Grundinformationen

Standard-SMILES: Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIKey: CNVOJNRNRNAOOP-UHFFFAOYSA-N
Summenformel: C11H13F3N2O
Durchschnittliche Molmasse: 246,23 g/mol
Monoisotopische Masse: 246,09799753

Namen und Bezeichner

Bevorzugter Name: N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine
IUPAC: 2-morpholin-4-yl-5-(trifluoromethyl)aniline
Englischer Name: 3-Amino-4-(4-morpholino)benzotrifluoride
Summenformel: C11H13F3N2O
Molmasse: 246.23

Namen und Synonyme

784-57-62-(morpholin-4-yl)-5-(trifluoromethyl)anilinen-[2-amino-4-(trifluoromethyl)phenyl]morpholineN-(2-Amino-4-(trifluoromethyl)phenyl)morpholineDTXSID10229063RefChem:824879DTXCID30151554670-893-52-morpholino-5-(trifluoromethyl)aniline2-morpholin-4-yl-5-(trifluoromethyl)aniline3-amino-4-(4-morpholino)benzotrifluoride2-(4-morpholinyl)-5-(trifluoromethyl)aniline

Weitere Namen anzeigen

AKOS BB-8567AKOS B033323AURORA 23185ASISCHEM U96976Compound Fr13574BUTTPARK 44\09-68AKOS BBS-00002875OTAVA-BB BB72165123093-Amino-4-(Morpholino)Benzotrifluori

MFCD00042160n-[2-amino-4-(trifluoromethyl)phenyl]-morpholineN-(2-Amino-4-trifluoromethylphenyl)morpholine2-morpholin-4-yl-5-(trifluoromethyl)phenylamineEnamine_0010602-Morpholin-4-yl-5-trifluoromethyl-phenylamine4-[2-amino-4-(trifluoromethyl)phenyl]morpholineMLS001007011

Datenbank-Bezeichner

CAS: 784-57-6
PubChem CID: 136624
DTXSID: DTXSID10229063
ChEMBL: CHEMBL1492269
EC Number: 670-893-5
Nikkaji: J265.922K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 38,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 254

Experimentelle und physikochemische Eigenschaften

Solubility36.7 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 127 · 127-128°C
storage temp.: 2 · 2-8°C(protect from light)
Wasserlöslichkeit: Insoluble in water.
BRN: 213147 · 213147
CAS Datenbank: 784 · 784-57-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302+H312 (84.4%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (84.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (15.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 3 (84.4%)；Acute Tox. 4 (15.6%)；STOT SE 3 (100%)