1-N,1-N,4-N,4-N-tetramethylbenzene-1,4-diamine

• ChemBase编号: 75338
• 分子式: C10H16N2
• 平均质量: 164.24744
• 单一同位素质量: 164.13134852
• SMILES: N(c1ccc(cc1)N(C)C)(C)C
• Canonical SMILES: CN(c1ccc(cc1)N(C)C)C
• InChI: InChI=1S/C10H16N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3
• InChIKey: CJAOGUFAAWZWNI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-N,1-N,4-N,4-N-tetramethylbenzene-1,4-diamine
• IUPAC传统名: 1-N,1-N,4-N,4-N-tetramethylbenzene-1,4-diamine; wurster's blue
• 别名: Wurster 试剂; N,N,N′,N′-四甲基对苯二胺; N,N,N',N'-四甲基对苯二胺; N,N,N',N'-Tetramethyl-p-phenylenediamine; TMPD; TMPDA; TMPPD; Wurster’s reagent; N,N,N′,N′-Tetramethyl-p-phenylenediamine; Wurster's reagent; 1,4-Bis(dimethylamino)benzene; Wurster's Blue; N,N,N',N'-Tetramethyl-p-phenylenediamine

登记号

• CAS号: 100-22-1
• EC号: 202-831-6
• MDL号: MFCD00008309
• Beilstein号: 1564025
• 默克索引号: 149228
• PubChem SID: 24888748; 162040256; 24900450
• PubChem CID: 7490

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.78618145
• LogD (pH = 7.4): 2.0721147
• Log P: 2.1893334
• 摩尔折射率: 54.9152 cm^3
• 极化性: 19.994892 Å^3
• 极化表面积: 6.48 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: off-white to brown flakes; powder; powder (crystalline)
• 熔点: 47-50 °C; 48-52°C; 49-51 °C(lit.)
• 沸点: 260 °C(lit.); 260°C
• 闪点: 110 °C; 230 °F

安全信息

• 保存条件: 2-8°C, Avoid excess heat
• 保存注意事项: Air & Light Sensitive
• RTECS编号: ST4200000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2811; UN1673
• 德国WGK号: 1
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 20/21/22; R:20/21/22
• 安全公开号: 28; S:28
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H312-H332
• GHS警示性声明: P261-P280-P302+P352-P304+P340-P322-P501A; P280
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

产品相关信息

• 纯度: ≥98.0% (NT); 98%; 98+%; 99%
• 级别: purum
• 线性分子式: C6H4[N(CH3)2]2

详细说明

MP Biomedicals - 02152118

Free Base
Purity: 98%
This material is typically an off-white to gray powder which may darken in storage.

Sigma Aldrich - T7394

Caution
储存中颜色可能变深。
包装
5, 25 g in glass bottle

Sigma Aldrich - 87888

Caution
储存中可能变色

参考文献

• Electron acceptor in studies of catalytic properties of oxoreductases in cellular organelles: Anal. Biochem., 131, 404 (1983). Reducing agent for cytochrome c.
• Compare N,N-Dimethyl-p-phenylenediamine dihydrochloride, A10343.
• Powerful electron donor which readily forms stable, dark blue radical cation: J. Am. Chem. Soc., 61, 1981 (1939); 65, 1747 (1943), which is involved in a wide variety of redox reactions: