1,1,3,3-tetramethylurea

• ChemBase编号: 104693
• 分子式: C5H12N2O
• 平均质量: 116.16158
• 单一同位素质量: 116.09496301
• SMILES: CN(C)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)N(C)C)C
• InChI: InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3
• InChIKey: AVQQQNCBBIEMEU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,3,3-tetramethylurea
• IUPAC传统名: temur
• 别名: 1,1,3,3-四甲基脲; 四甲基脲; 四甲基脲; N,N,N′,N′-四甲基脲; Tetramethylurea; Tetramethylurea; N,N,N′,N′-Tetramethylurea; 1,1,3,3-TETRAMETHYLUREA; 1,1,3,3-Tetramethylurea; TMU; TETRAMETHYLUREA

登记号

• CAS号: 632-22-4
• EC号: 211-173-9
• MDL号: MFCD00008319
• Beilstein号: 773898
• 默克索引号: 149230
• PubChem SID: 162092224; 24900039
• PubChem CID: 12437

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -0.46912962
• LogD (pH = 7.4): -0.4691296
• Log P: -0.4691296
• 摩尔折射率: 32.7294 cm^3
• 极化性: 12.299049 Å^3
• 极化表面积: 23.55 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: miscible1 M at 20 °C; Miscible with water
• 熔点: -1 °C(lit.); -1°C; -1°C
• 沸点: 176.5°C; 176-178°C; 177 °C(lit.); 62-63 °C/12 mmHg(lit.)
• 闪点: 167 °F; 65.5°C; 75 °C; 75°C(167°F)
• 密度: 0.968 g/mL at 20 °C(lit.); 0.969; 0.97 g/ml
• 折射率: 1.4506; n20/D 1.451; n20/D 1.451(lit.); n20/D 1.452
• 紫外吸收波长: λ: 260 nm Amax: 1.00; λ: 280 nm Amax: 0.09
• pH值: 5-8 (25 °C, 1 M in H2O)

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: YU2625000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 德国WGK号: 3
• 危险公开号: 61-22
• 安全公开号: 53-45
• TSCA收录: 是
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H302-H360D; H360-H302-H227
• GHS警示性声明: P201-P308 + P313; P210-P280-P281-P301+P312-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

药理学性质

• 相关基因信息: human ... EPHX2(2053)mouse ... Ephx2(13850)

产品相关信息

• 纯度: ≥99.0% (GC); ≥99.5% (GC); 99%
• 级别: BCR® certified Reference Material; purum
• 燃烧残渣: ≤0.05%
• 杂质: ≤0.3% water
• 痕量阳离子: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤20 mg/kg
• 痕量阴离子: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• λ: 1 M in H2O
• 线性分子式: (CH3)2NCON(CH3)2

详细说明

MP Biomedicals - 02156830

1 ml = approx. 0.97 g

MP Biomedicals - 05215243

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T24503

包装
5, 100 g in glass bottle

Sigma Aldrich - STA003

法律信息
BCR 注册商标 European Commission

Sigma Aldrich - STA003K

法律信息
BCR 注册商标 European Commission

Sigma Aldrich - 87849

Other Notes
液态蛋白变性剂。用于血红蛋白的解离1；TMU 可将可溶形式的人血清高密度脂蛋白的载脂蛋白去脂化并定量释放2

参考文献

• High-boiling dipolar aprotic solvent. The polar nature, wide liquid range and high solvent power of tetraalkylureas make them suitable solvents for a wide range of reactions; review: Angew. Chem. Int. Ed., 18, 503 (1979).
• Reacts with oxalyl chloride to give tetramethyl chloroformamidinium chloride, a useful reagent for the conversion of carboxylic acids and dialkyl phosphates to anhydrides and pyrophosphates respectively: Bull. Chem. Soc. Jpn., 56, 3529 (1983).