4-(Morpholine-4-carbonyl)aniline

HCID 577815CAS 51207-86-4

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Grundinformationen

Standard-SMILES: Nc1ccc(C(=O)N2CCOCC2)cc1
InChIKey: WEHVQIQNGXWTME-UHFFFAOYSA-N
Summenformel: C11H14N2O2
Durchschnittliche Molmasse: 206,24 g/mol
Monoisotopische Masse: 206,10552769

Namen und Bezeichner

Bevorzugter Name: 4-(Morpholine-4-carbonyl)aniline
IUPAC: (4-aminophenyl)-morpholin-4-ylmethanone
Englischer Name: (4-Amino-phenyl)-morpholin-4-yl-methanone
Summenformel: C11H14N2O2
Molmasse: 206.24

Namen und Synonyme

(4-aminophenyl)(morpholino)methanone4-(morpholine-4-carbonyl)anilineRefChem:516444672-072-751207-86-4p-Aminobenzoylmorpholine(4-aminophenyl)-morpholin-4-ylmethanoneMFCD001587884-aminobenzoylmorpholineMorpholine, 4-(4-aminobenzoyl)-4-(morpholin-4-ylcarbonyl)aniline(4-Amino-phenyl)-morpholin-4-yl-methanone

Weitere Namen anzeigen

AKOS B000462N-(p-AMinobenBUTTPARK 19\02-43TIMTEC-BB SBB000456ART-CHEM-BB B000462CHEMBRDG-BB 30004624-(4-AMinobenzoyl)Morpholine4-(p-AMinobenzoyl)Morpholine4-AMINOBENZOIC ACID, MORPHOLIDE

(4-aminophenyl)morpholin-4-yl-methanoneDTXSID30342021HMS1537J104-(morpholin-4-ylcarbonyl)phenylamineAKOS000111604CS-W021099(4-Aminophenyl)morpholin-4-ylmethanone(4-aminophenyl)(morpholin-4-yl)methanone

Datenbank-Bezeichner

CAS: 51207-86-4
PubChem CID: 577815
DTXSID: DTXSID30342021
EC Number: 672-072-7
Nikkaji: J1.310.823D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 55,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 15
Formalladung: 0
Komplexität: 219

Physikochemische Eigenschaften

Schmelzpunkt: 132 · 132-135°C
Siedepunkt: 426.9 · 426.9±40.0 °C(Predicted)
Dichte: 1.228 · 1.228±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 3.43 · 3.43±0.10(Predicted)
CAS Datenbank: 51207 · 51207-86-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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]；H332 (100%): 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, 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 2 reports by companies from 2 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. 4 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2934999090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden(4-Amino-Phenyl)-Morpholin-4-yl-Methanone is an morpholine derivative used in the preparation of tyrosine kinase inhibitors and other biologically active agents.