기본 정보
- CAS
1081821-70-6- 표준 SMILES
Cc1cccc(N=Nc2ccc(N(C)C)cc2)c1- InChIKey
LVTFSVIRYMXRSR-UHFFFAOYSA-N- 분자식
- C15H17N3
- 평균 분자량
- 239.32 g/mol
- 단동위원소 질량
- 239.14224756
개요
3-methyl-4'-dimethylaminoazobenzene is a member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 3 by a methyl group, while the other is substituted at position 4 by a dimethylamino group. It is a potent liver carcinogen. It has a role as a carcinogenic agent. It is a member of azobenzenes and a tertiary amino compound.
이름 및 식별자
- 우선 이름
- N,N-Dimethyl-4-[2-(3-methylphenyl)diazenyl]benzenamine
- IUPAC
- N,N-dimethyl-4-[(3-methylphenyl)diazenyl]aniline
- 현지명
- 3'-메틸-4-디메틸아미노아조벤젠
- 영어명
- 3'-Methyl-4-dimethylaminoazobenzene
- 분자식
- C15H17N3
- 분자량
- 239.32
이름 및 동의어
55-80-1N,N-Dimethyl-4-(2-(3-methylphenyl)diazenyl)benzenamineN,N-Dimethyl-4-[2-(3-methylphenyl)diazenyl]benzenamineRefChem:2019223'-Methyl-4-dimethylaminoazobenzeneMDAB3'-Mdab4-Dimethylamino-3'-methylazobenzene3'-Me-Dab3'-Methylbuttergelb3'-Methyl-4-(dimethylamino)azobenzeneN,N-Dimethyl-p-(m-tolylazo)aniline
이름 더 보기
3'-메틸-4-디메틸아미노아조벤젠3’-mdab3’-me-dab3'Methyl-dab3’-methyl-dab3’-methylbuttergelbmethyldimethylaminoazobenzene
4-(Dimethylamino)-3'-methylazobenzenem'-Methyl-p-dimethylaminoazobenzene3'-Methyl-dabN,N-dimethyl-4-[(3-methylphenyl)diazenyl]aniline3'-Methyl-4-dimethylaminoazobenzen3',N,N-Trimethyl-4-aminoazobenzene3'-Methyldimethylaminoazobenzol4-(N,N-Dimethylamino)-3'-methylazobenzene
데이터베이스 식별자
- CAS
1081821-70-6、55-80-1
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 28 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 267
실험 및 물리화학적 성질
Chemical ClassesDyes -> Azo Dyes
Solubility
In water, 0.4 mg/l @ 25 °C
0.4 [ug/mL] (The mean of the results at pH 7.4)
DecompositionWhen heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Vapor Pressure0.0000352 [mmHg]
Physical DescriptionPowder; [MSDSonline]
Collision Cross Section161.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8020838]
물리화학적 성질
- 녹는점
- 120 °C · 120°C
- 끓는 점
- 371.98 °C · 371.98°C (rough estimate)
- 밀도
- 0.9908 · 0.9908 (rough estimate)
- 굴절률
- 1.5 · 1.5000 (estimate)
- 산도 계수 (pKa)
- 3.29 · 3.29±0.10(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 노란색, 주황색으로
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazards SummaryIn chronic high-dose feeding studies of rats and mice: increased liver tumors including carcinomas; [HSDB] Oral LD50 (mouse) = 17,700 mg/kg; [HSDB]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 및 보호
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
독성 정보
Interactions
PHENOBARBITAL ENHANCED GROWTH OF ENZYME-ALTERED ISLANDS INDUCED BY 3'-METHYL-4-(DIMETHYLAMINO)AZOBENZENE IN RATS.
INHIBITION OF CHEMICAL CARCINOGENESIS: EARLY INCR IN TISSUE UPTAKE & MACROMOLECULAR BINDING OF TRITIUM-LABELED METABOLITES OF HEPATOCARCINOGEN, 3'-METHYL-4-DIMETHYLAMINOAZOBENZENE, IN RAT LIVER IN VIVO IN PRESENCE OF TUMOR INHIBITOR, CHLORAMPHENICOL.
EFFECT OF PHENOBARBITAL ADMIN ON HEPATOCYTES CONSTITUTING THE HYPERPLASTIC NODULES INDUCED IN RAT LIVER BY 3'-METHYL-4-DIMETHYLAMINOAZOBENZENE. CYTOCHROME P-450 LOW IN PRECANCEROUS RAT LIVER WAS INDUCTIBLE BY PHENOBARBITAL TREATMENT.
화학 및 산업
약리 정보
Metabolism/Metabolites
CELL-FREE SYSTEM CATALYZES COVALENT BINDING OF (3)H-3'-METHYL-4-DIMETHYLAMINOAZOBENZENE TO YEAST RNA & ENDOGENOUS TISSUE PROTEIN. SUGGEST 2 ELECTROPHILIC METABOLITES.
METABOLITES INVESTIGATED BY MEANS OF TRACER TECHNIQUE WERE: 3-AMINOBENZOIC ACID, 3-AMINO-6-HYDROXYTOLUENE & THEIR N-ACETYLATED PRODUCTS; N-DEMETHYLATED, ARYL HYDROXYLATED & AZO REDUCED PRODUCTS.
Absorption, Distribution and ExcretionMEABOLITES WERE FOUND BOTH IN THE URINE AND IN THE BILE.
용도 및 제조
UsesNot commercially produced in the US; [HSDB]
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 InformationBenzenamine, N,N-dimethyl-4-[2-(3-methylphenyl)diazenyl]-: INACTIVE
공급사19 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aladdin Scientific[email protected]
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