4-아세틸아미노비페닐
N-Acetyl-4-aminobiphenyl
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기본 정보
- CAS
4075-79-0- 표준 SMILES
CC(=O)Nc1ccc(-c2ccccc2)cc1- InChIKey
SVLDILRDQOVJED-UHFFFAOYSA-N- 분자식
- C14H13NO
- 평균 분자량
- 211.26 g/mol
- 단동위원소 질량
- 211.09971404
개요
4-Acetylaminobiphenyl is a member of biphenyls.
이름 및 식별자
- 우선 이름
- N-Acetyl-4-aminobiphenyl
- IUPAC
- N-(4-phenylphenyl)acetamide
- 현지명
- 4-아세틸아미노비페닐
- 영어명
- 4-acetylaminobiphenyl
- 분자식
- C14H13NO
- 분자량
- 211.26
이름 및 동의어
4075-79-0N-Acetyl-4-aminobiphenyl4-ACETYLAMINOBIPHENYL4'-Phenylacetanilide4-AcetamidobiphenylN-(4-Biphenylyl)acetamideAcetanilide, 4'-phenyl-4-BiphenylacetamideBiphenyl, 4-acetamidoN-(1,1'-Biphenyl)-4-ylacetamideU9BHQ2TJ87NSC-3134
이름 더 보기
4-아세틸아미노비페닐NSC2271924-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
데이터베이스 식별자
- CAS
4075-79-0- PubChem CID
- 19998
- DTXSID
DTXSID8039243- ChEMBL
CHEMBL300429- ChEBI
CHEBI:177487- UNII
- U9BHQ2TJ87
- EC Number
- 817-898-2
- Nikkaji
- J2.205E
물성
구조 계산 물성보충 중
- XLogP
- 3
- 극성 표면적
- 29.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 225
실험 및 물리화학적 성질
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/
물리화학적 성질
- 녹는점
- 171 °C · 171°C
- 끓는 점
- 350.95 °C · 350.95°C (rough estimate)
- 밀도
- 1.0694 · 1.0694 (rough estimate)
- 굴절률
- 1.578 · 1.5780 (estimate)
- 저장 조건
- Refrigerator
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
Hazards SummaryMutagen and tumorigen; [RTECS] See Biphenyl.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
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.
안전 데이터
- tsca
- TSCA listed
- 독성
- 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
- 유해 물질 데이터
- 4075-79-0(Hazardous Substances Data)
화학 및 산업
약리 정보
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.
용도 및 제조
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
응용 분야
용도N-Acetyl-4-aminobiphenyl is a metabolite of 4-Aminobiphenyl, a procarcinogenic agent.
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