2'-Hydroxyacetanilid

2-Acetamidophenol

HCID 11972CAS 4746-61-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(=O)Nc1ccccc1O
InChIKey: ADVGKWPZRIDURE-UHFFFAOYSA-N
Summenformel: C8H9NO2
Durchschnittliche Molmasse: 151,16 g/mol
Monoisotopische Masse: 151,06332853

Überblick

2-acetamidophenol is a member of the class of phenols that is 2-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. A positional isomer of paracetamol which possesses anti-inflammatory, anti-arthritic and anti-platelet aggregation properties. It has a role as an antineoplastic agent, an antirheumatic drug, a platelet aggregation inhibitor, an anti-inflammatory agent, an apoptosis inducer and a xenobiotic metabolite. It is a member of acetamides and a member of phenols.

Namen und Bezeichner

Bevorzugter Name: 2-Acetamidophenol
IUPAC: N-(2-hydroxyphenyl)acetamide
Englischer Name: 2-Hydroxy-N-phenylacetamide
Summenformel: C8H9NO2
Molmasse: 151.16

Namen und Synonyme

2-Acetamidophenol614-80-2N-(2-Hydroxyphenyl)acetamideo-Hydroxyacetanilide2-Hydroxyacetanilide2-Acetaminophenolo-Acetamidophenol2-(Acetylamino)phenolo-(Acetylamino)phenolo-AcetaminophenolN-Acetyl-o-aminophenolN-Acetyl-2-aminophenol

Weitere Namen anzeigen

GlycolanilideCetirizine Impurity 52Cinnarizine Impurity 52HydroxyacetylaminobenzeneDiclofenac EP Impurity 132-Hydroxy-N-phenylacetamideN-Phenyl-2-hydroxyacetamideDiclofenac sodium impurity 1Diclofenac Sodium Impurity 32Acetamide, 2-hydroxy-N-phenyl-

Acet-o-aminofenolAcetanilide, 2'-hydroxy-o-AcetylaminofenolDTXSID80220824AS8989RNI2-(N-ACETYLAMINO)PHENOLDTXCID402082CHEBI:143107

Datenbank-Bezeichner

CAS: 4746-61-6、57047-65-1、614-80-2
PubChem CID: 11972
DTXSID: DTXSID8022082
ChEMBL: CHEMBL1456301
ChEBI: CHEBI:143107
UNII: 4AS8989RNI
EC Number: 210-396-9
Nikkaji: J43.339J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 49,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 147

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

Collision Cross Section130.2 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8022082]

Physikochemische Eigenschaften

Schmelzpunkt: 92 °C · 92 °C
Siedepunkt: 273.17 °C · 273.17°C (rough estimate)
Dichte: 1.2023 · 1.2023 (rough estimate)
Brechungsindex: 1.581 · 1.5810 (estimate)
storage temp.: 2 · 2-8°C
pka: 13.41 · 13.41±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (98%): 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 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.