기본 정보
- 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 물성
- 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
- 용해도
- 클로로포름, 메탄올에 용해됨
- 물리적 상태
- 고체
- 색상
- 메탄올 용액에서 결정화된 결정
- 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
- 1 · Acetamide, N-[1,1'-biphenyl]-4-yl- (4075-79-0)
화학적 성질
Light Tan Solid
안전 및 규제
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.
상·하류 제품 정보
하류 제품
공급사21 곳
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]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
深圳市森迪生物科技有限公司18126413629 0755-23311925 2355327053 · [email protected]
深圳市森迪生物科技有限公司18124570582 TEL：0755-23574479 2355327139 · [email protected]
广州卡芬生物科技有限公司18029243487 2355327168 · [email protected]
Xuzhou B&C Chemical Technology Co., Ltd+86-400-0516-021 +86-15190678838 · [email protected]
珠海嘉亿生物科技有限公司18578209868 2355327026 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
徐州博康化学科技股份有限公司051686297676 · [email protected]
Richest Group Ltd18017061086 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
관련 반응
17건
연결된 노트
불러오는 중…