methyl[2-(methylamino)ethyl]amine

• ChemBase编号: 67625
• 分子式: C4H12N2
• 平均质量: 88.15148
• 单一同位素质量: 88.10004839
• SMILES: C(CNC)NC
• Canonical SMILES: CNCCNC
• InChI: InChI=1S/C4H12N2/c1-5-3-4-6-2/h5-6H,3-4H2,1-2H3
• InChIKey: KVKFRMCSXWQSNT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[2-(methylamino)ethyl]amine
• IUPAC传统名: methyl[2-(methylamino)ethyl]amine
• 别名: N,N'-二甲基乙二胺; 1,2-双(甲氨基)乙烷; N,N′-二甲基乙二胺; N,N'-Dimethylethylenediamine; N,N'-Dimethylethylenediamine; 1,2-Bis(methylamino)ethane; N,N′-Dimethylethylenediamine

登记号

• CAS号: 110-70-3
• EC号: 203-793-3
• MDL号: MFCD00008290
• Beilstein号: 878142
• PubChem SID: 24856188; 162033360; 24893484
• PubChem CID: 8070

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -5.1817555
• LogD (pH = 7.4): -3.064366
• Log P: -0.5572819
• 摩尔折射率: 27.4178 cm^3
• 极化性: 11.1656475 Å^3
• 极化表面积: 24.06 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 118-119°C; 119 °C(lit.)
• 闪点: 26 °C; 28°C(82°F); 78.8 °F
• 密度: 0.818; 0.819 g/mL at 20 °C(lit.)
• 折射率: 1.4300; n20/D 1.431(lit.)

安全信息

• 保存注意事项: Air Sensitive; IRRITANT
• RTECS编号: KV4250000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 2734; UN2734
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 10-34
• 安全公开号: 20-23-26-36/37/39-45-60; 26-36/37/39-45
• TSCA收录: false; 是
• GHS危险品标识: GHS02; GHS05
• GHS警示词: Danger
• GHS危险声明: H226-H314; H314-H318-H226
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2734 8/PG 2

产品相关信息

• 纯度: 85%; 95%; 95+%; 99%
• 线性分子式: CH3NHCH2CH2NHCH3

详细说明

Sigma Aldrich - 270032

Other Notes
残留物为 N-甲基乙二胺
包装
25, 100 g in glass bottle

Sigma Aldrich - D157805

包装
5, 25, 100 g in glass bottle

参考文献

• Reagent for protection of aldehyde groups as 2-substituted-1,3-dimethylimidazolidines, e.g. by azeotropic dehydration with benzene. The derivatives are stable to n-BuLi and LDA, and can be cleaved by acid hydrolysis, or in high yield by quaternization with MeI and mild hydrolysis: Tetrahedron, 41, 3803 (1985). With aromatic aldehydes, the imidazolidine derivatives are activated to ortho-lithiation, providing a route to o-substituted benzaldehydes: J. Org. Chem., 44, 2004 (1979).