기본 정보
- CAS
17526-94-2- 표준 SMILES
Cc1ccc(NC(=O)N(C)C)cc1NC(=O)N(C)C- InChIKey
KDQTUCKOAOGTLT-UHFFFAOYSA-N- 분자식
- C13H20N4O2
- 평균 분자량
- 264.32 g/mol
- 단동위원소 질량
- 264.15862589
이름 및 식별자
- 우선 이름
- 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)
- IUPAC
- 3-[3-(dimethylcarbamoylamino)-4-methylphenyl]-1,1-dimethylurea
- 현지명
- N, N-(4-메틸-1,3-페닐렌)비스[N,N-다이메틸우레아]
- 영어명
- 3,3'-(4-Methyl-1,3-phenylene) bis (1,1-dimethylurea)
- 분자식
- C13H20N4O2
- 분자량
- 264.32
이름 및 동의어
17526-94-21,1'-(4-Methyl-1,3-phenylene)bis(3,3-dimethylurea)3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)DTXSID004460622X7S855O6NSC-375994Urea, N,N''-(4-methyl-1,3-phenylene)bis(N',N'-dimethyl-DTXCID8024606U 410MUrea, N,N''-(4-methyl-1,3-phenylene)bis[N',N'-dimethyl-2,4-TOLYLENEBIS(N',N'-DIMETHYLUREA)2,4-BIS(DIMETHYLAMINOCARBONYLAMINO)TOLUENE
이름 더 보기
N,N-(4-메틸-1,3-페닐렌)비스[N,N-다이메틸우레아]3,3'-(4-메틸-1,3-페닐렌)BIS(1,1-디메틸루레아)DyhardUR500DYHARD(R) UR 5002,4-Bis(3,3-dimethylureido)toluene1,1'-(Toluene-2,4-diyl)bis(3,3-dimethylurea)N,N''-(4-methyl-1,3-phenylene)bis[N',N'-dimethylUrea, N,N-(4-methyl-1,3-phenylene)bisN,N-dimethyl-n,n’’-(4-methyl-1,3-phenylene)bis[n’,n’-dimethyl-ure
N,N'-BIS(DIMETHYLCARBAMOYL)-2,4-TOLUIDINE1,1'-(4-methyl-m-phenylene)bis(3,3-dimethylurea)N,N''-(4-Methyl-m-phenylene)bis(N',N'-dimethylurea)N,N''-(4-methyl-m-phenylene)bis[N',N'-dimethylurea]1,1'-(4-METHYL-M-PHENYLENE)BIS(3,3'-DIMETHYLUREA)UREA, 1,1'-(4-METHYL-M-PHENYLENE)BIS(3,3-DIMETHYL-N,N-(4-METHYL-1,3-PHENYLENE) BIS(N',N'-DIMETHYLUREA)3-(5-(DIMETHYLCARBAMOYLAMINO)-2-METHYLPHENYL)-1,1-DIMETHYL UREA
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 64.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 331
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Physical Description
Dry Powder
Solid; [Sigma-Aldrich MSDS]
Collision Cross Section162.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044606]
물리화학적 성질
- 끓는 점
- 501 · 501.0±50.0 °C(Predicted)
- 밀도
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 14.93 · 14.93±0.70(Predicted)
- 수용성
- 23.2 g/L · 23.2g/L at 25℃
- InChI
- InChI=1S/C13H20N4O2/c1-9-6-7-10(14-12(18)16(2)3)8-11(9)15-13(19)17(4)5/h6-8H,1-5H3,(H,14,18)(H,15,19)
- InChIKey
- KDQTUCKOAOGTLT-UHFFFAOYSA-N
- SMILES
- C1(NC(N(C)C)=O)=CC=C(C)C(NC(N(C)C)=O)=C1
- LogP
- 0.69 · 0.69
- EPA
- N,N''-(4-Methyl-1,3-phenylene)bis[N',N'-dimethylurea] (17526-94-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 97.2% (69 of 71) of all reports.
Not Classified
Aggregated GHS information provided per 71 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Urea, N,N''-(4-methyl-1,3-phenylene)bis[N',N'-dimethyl-
Urea, N,N''-(4-methyl-1,3-phenylene)bis[N',N'-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Urea, N,N''-(4-methyl-1,3-phenylene)bis[N',N'-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: N,N''-(4-methyl-m-phenylene)bis[N',N'-dimethylurea] (EC: 241-523-6)
Urea, N,N''-(4-methyl-1,3-phenylene)bis[N',N'-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryMay cause irritation; May cause skin sensitization, based on QSAR modeling; [Sigma-Aldrich MSDS] See 1,1-Dimethylurea. See 2,4-Diaminotoluene.
Hazard Classes and CategoriesNot Classified
안전 및 보호
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
U.S. Production2023: 50,000 - <75,000 lb
Consumer UsesAdhesion/cohesion promoter
Industry UsesAdhesion/cohesion promoter
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Urea, N,N''-(4-methyl-1,3-phenylene)bis[N',N'-dimethyl-: ACTIVE
공급사37 곳
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
深圳市飞鸣科技有限公司0755-85232577 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
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