Grundinformationen
- Standard-SMILES
CC(=O)Nc1ccc(-c2ccccc2)cc1- InChIKey
SVLDILRDQOVJED-UHFFFAOYSA-N- Summenformel
- C14H13NO
- Durchschnittliche Molmasse
- 211,26 g/mol
- Monoisotopische Masse
- 211,09971404
Überblick
4-Acetylaminobiphenyl is a member of biphenyls.
Namen und Bezeichner
- Bevorzugter Name
- N-Acetyl-4-aminobiphenyl
- IUPAC
- N-(4-phenylphenyl)acetamide
- Englischer Name
- 4-acetylaminobiphenyl
- Summenformel
- C14H13NO
- Molmasse
- 211.26
Namen und Synonyme
4075-79-0N-Acetyl-4-aminobiphenyl4-ACETYLAMINOBIPHENYL4'-Phenylacetanilide4-AcetamidobiphenylN-(4-Biphenylyl)acetamideAcetanilide, 4'-phenyl-4-BiphenylacetamideBiphenyl, 4-acetamidoN-(1,1'-Biphenyl)-4-ylacetamideU9BHQ2TJ87NSC-3134
Weitere Namen anzeigen
NSC2271924-PHENYLACETANILIDEN-(p-Phenylphenyl)acetamideN-(1,1'-Biphenyl-4-yl)acetamideAcetamide, N-[1,1'-biphenyl]-4-yl-
NSC-65931NSC-227192DTXSID8039243RefChem:97635DTXCID3016N-(4-phenylphenyl)acetamideN-([1,1'-Biphenyl]-4-yl)acetamidep-Phenylacetanilide
Datenbank-Bezeichner
- CAS
4075-79-0- PubChem CID
- 19998
- DTXSID
DTXSID8039243- ChEMBL
CHEMBL300429- ChEBI
CHEBI:177487- UNII
- U9BHQ2TJ87
- EC Number
- 817-898-2
- Nikkaji
- J2.205E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 29,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 225
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Color/FormCRYSTALS FROM DILUTED METHANOL
SolubilityVERY SOL IN ALC, ACETONE, METHANOL; INSOL IN WATER
Melting Point172 °C
Physical DescriptionSolid; [HSDB]
Other Experimental PropertiesUV: 4-507 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Biphenyl, 2-acetamido/
Physikochemische Eigenschaften
- Schmelzpunkt
- 171 °C · 171°C
- Siedepunkt
- 350.95 °C · 350.95°C (rough estimate)
- Dichte
- 1.0694 · 1.0694 (rough estimate)
- Brechungsindex
- 1.578 · 1.5780 (estimate)
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform, Methanol
- Aggregatzustand
- Solid
- Farbe
- Crystals from MeOH (aq)
- InChI
- InChI=1S/C14H13NO/c1-11(16)15-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)
- InChIKey
- SVLDILRDQOVJED-UHFFFAOYSA-N
- SMILES
- C(NC1=CC=C(C2=CC=CC=C2)C=C1)(=O)C
- EPA chemische Informationen
- 1 · Acetamide, N-[1,1'-biphenyl]-4-yl- (4075-79-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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.
Gefahrenhinweise
Hazards SummaryMutagen and tumorigen; [RTECS] See Biphenyl.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxikologische Informationen
Non-Human Toxicity Excerpts
NEONATAL ICR/HA MICE WERE INJECTED SC WITH SINGLE DOSE OF 25, 50, & 100 MUG OF 4-ACETYLAMINOBIPHENYL ALONE OR TOGETHER WITH 2.5% PIPERONYL BUTOXIDE IN TRICAPRYLIN. PB INDUCED SYNERGISTIC TOXICITY AND AAB INDUCED DOSE-RELATED HEPATOCARCINOGENICITY IN MALE.
N-HYDR OXY-N-ACETYL-4-AMINOBIPHENYL, CARCINOGENIC METABOLITE OF CANCER-INDUCING N-ACETYL-4-AMINOBIPHENYL, INDUCED ATP-ENERGIZED MITOCHONDRIAL VOL CHANGE IN AN IN VITRO MITOCHONDRIAL SYSTEM WHEN COMBINED WITH THIOL REAGENT SUCH AS SHOWDOMYCIN.
ACTIVATION OF GUANYLATE CYCLASE DURING THE OXIDATION OF ARYLAMINE CARCINOGENS.
Sicherheitsdaten
- tsca
- TSCA listed
- Toxizität
- TDLo orl-rat: 2770 mg/kg/21W-C:CAR CNREA8 15,188,55 orl-rat TD:4070 mg/kg/34W-C:CAR CNREA8 16,525,56
- Giftige Stoffe Daten
- 4075-79-0(Hazardous Substances Data)
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites
REDUCTION OF N-HYDROXY-4-ACETYLAMINOBIPHENYL BY INTESTINAL MICROFLORA OF THE RAT TO 4-ACETYLAMINOBIPHENYL WAS EXAMINED.
...NONBASIC NITROGEN-CONTAINING COMPD...4-ACETYLAMINOBIPHENYL UTILIZE A CYTOCHROME P-450-DEPENDENT SYSTEM.
ABILITY OF ARYLACETAMINE DEACETYLASE ENZYME SYSTEMS OF DOG LIVER TO DEACETYLATE 4-ACETYLAMINOBIPHENYL WAS EXAMINED. ENZYME ACTIVITY WAS GREATEST IN LIVER TISSUE, WAS LOCALIZED IN MICROSOMAL SUBCELLULAR FRACTION & REQUIRED NO COFACTORS.
Absorption, Distribution and ExcretionTHE BINDING TO LIVER RNA & DNA WAS STUDIED 24 HR AFTER SINGLE IP INJECTION OF (3)H-LABELED COMPD.
Verwendung und Herstellung
Uses
Not commercially used or produced in the US; [HSDB]
NO EVIDENCE OF CURRENT USE IN US
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
General Manufacturing InformationAcetamide, N-[1,1'-biphenyl]-4-yl-: INACTIVE
Anwendungen
VerwendenN-Acetyl-4-aminobiphenyl is a metabolite of 4-Aminobiphenyl, a procarcinogenic agent.
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