N-Acetyl-4-aminobiphenyl (HCID 19998)

概要

4-Acetylaminobiphenyl is a member of biphenyls.

名称と識別子

優先名称: N-Acetyl-4-aminobiphenyl
IUPAC: N-(4-phenylphenyl)acetamide
現地名: N-(4-ビフェニリル)アセトアミド
英語名: 4-acetylaminobiphenyl
分子式: C14H13NO
分子量: 211.26

名称と別名

4075-79-0N-Acetyl-4-aminobiphenyl4-ACETYLAMINOBIPHENYL4'-Phenylacetanilide4-AcetamidobiphenylN-(4-Biphenylyl)acetamideAcetanilide, 4'-phenyl-4-BiphenylacetamideBiphenyl, 4-acetamidoN-(1,1'-Biphenyl)-4-ylacetamideU9BHQ2TJ87NSC-3134

名称をさらに表示

N-アセチル-1,1'-ビフェニル-4-アミンN-(4-ビフェニリル)アセトアミドN-(ビフェニル-4-イル)アセトアミド4-(アセチルアミノ)ビフェニル4-アセチルアミノ-1,1'-ビフェニル4-アセチルアミノビフェニルN-(p-フェニルフェニル)アセトアミド4-アセチルアミノ[1,1'-ビフェニル]N-(1,1'-ビフェニル-4-イル)アセトアミドN-アセチル-1,1′-ビフェニル-4-アミンN-(1,1′-ビフェニル-4-イル)アセトアミド4-アセチルアミノ-1,1′-ビフェニルN-ビフェニル-4-イルアセトアミド4-アセチルアミノ[1,1′-ビフェニル]N-{[1,1'-ビフェニル]-4-イル}アセトアミド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

データベース識別子

CAS: 4075-79-0
PubChem CID: 19998
DTXSID: DTXSID8039243
ChEMBL: CHEMBL300429
ChEBI: CHEBI:177487
UNII: U9BHQ2TJ87
EC Number: 817-898-2
Nikkaji: J2.205E

物性

構造計算による物性

XLogP: 3
極性表面積: 29.1 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 16
形式電荷: 0
複雑度: 225

実験および物理化学的性質

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]

物理化学的性質

融点: 171 °C · 171°C
沸点: 350.95 °C · 350.95°C (rough estimate)
比重(密度): 1.0694 · 1.0694 (rough estimate)
屈折率: 1.578 · 1.5780 (estimate)
貯蔵温度: Refrigerator
溶解性: クロロホルム、メタノール
外見: 個体
色: MeOH (aq) からの結晶
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の化学物質情報: 1 · Acetamide, N-[1,1'-biphenyl]-4-yl- (4075-79-0)

化学的性質

化学的特性Light Tan Solid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazards SummaryMutagen and tumorigen; [RTECS] See Biphenyl.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

毒性情報

Non-Human Toxicity Excerpts · 3 件

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.

安全データ

tsca: TSCA listed
毒性: 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
有毒物質データの: 4075-79-0(Hazardous Substances Data)

化学と産業

薬理情報

Metabolism/Metabolites · 3 件

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.

用途と製造

Uses · 2 件

Not commercially used or produced in the US; [HSDB]

NO EVIDENCE OF CURRENT USE IN US

U.S. Exports · 2 件

(1977) No Data

(1979) No Data

U.S. Imports · 2 件

(1977) No Data

(1979) No Data

U.S. Production · 2 件

(1977) NOT PRODUCED COMMERCIALLY IN US

(1979) NOT PRODUCED COMMERCIALLY IN US

General Manufacturing InformationAcetamide, N-[1,1'-biphenyl]-4-yl-: INACTIVE

応用分野

使用N-Acetyl-4-aminobiphenyl is a metabolite of 4-Aminobiphenyl, a procarcinogenic agent.

上流・下流製品情報

下流製品

4-ニトロ-p-ターフェニル 4''-(ACETYLAMINO)-1,1''-BIPHENYL-4-SULFONYL CHLORIDE

サプライヤー21 社

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

上海陶素生化科技有限公司021-33632979 · [email protected]

凯试（上海）科技有限公司021-50135380 · [email protected]

郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]

湖北昌玖新材料科技有限公司13407109540 · [email protected]

N-(4-ビフェニリル)アセトアミド

基本情報

概要