基本情報
- CAS
17526-94-2- 標準SMILES
Cc1ccc(NC(=O)N(C)C)cc1NC(=O)N(C)C- InChIKey
KDQTUCKOAOGTLT-UHFFFAOYSA-N- 分子式
- C13H20N4O2
- 平均分子量
- 264.32 g/mol
- 単同位体質量
- 264.15862589
名称と識別子
- 優先名称
- 3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)
- IUPAC
- 3-[3-(dimethylcarbamoylamino)-4-methylphenyl]-1,1-dimethylurea
- 現地名
- 1,1'-(4-メチル-1,3-フェニレン)ビス(3,3-ジメチル尿素)
- 英語名
- 3,3'-(4-Methyl-1,3-phenylene) bis (1,1-dimethylurea)
- 分子式
- C13H20N4O2
- 分子量
- 264.32
名称と別名
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
名称をさらに表示
2,4-ビス(3,3-ジメチルウレイド)トルエン1,1'-(トルエン-2,4-ジイル)ビス(3,3-ジメチル尿素)N,N''-(4-メチル-1,3-フェニレン)ビス(N',N'-ジメチル尿素)1,1'-(4-メチル-1,3-フェニレン)ビス(3,3-ジメチル尿素)1,1'-(6-メチル-1,3-フェニレン)ビス(3,3-ジメチル尿素)1，1’-（4-メチル-1，3-フェニレン）ビス（3，3-ジメチル尿素）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
物性
構造計算による物性
- XLogP
- 1
- 極性表面積
- 64.7 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 331
実験および物理化学的性質
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]
物理化学的性質
- 沸点
- 501 · 501.0±50.0 °C(Predicted)
- 比重(密度)
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C
- 酸解離定数(Pka)
- 14.93 · 14.93±0.70(Predicted)
- 水溶解度
- 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の化学物質情報
- N,N''-(4-Methyl-1,3-phenylene)bis[N',N'-dimethylurea] (17526-94-2)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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
安全と保護具
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
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
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