1-(2-氨基乙氧基)-2-甲氧基乙烷 (HCID 520530)

名称与标识

首选名称: 2-(2-Methoxyethoxy)ethanamine
IUPAC: 2-(2-methoxyethoxy)ethanamine
中文名: 1-(2-氨基乙氧基)-2-甲氧基乙烷
英文名: 2-(2-Methoxyethoxy)ethanamine
分子式: C5H13NO2
分子量: 119.16

名称与别名

2-(2-methoxyethoxy)ethanamine31576-51-91-(2-aminoethoxy)-2-methoxyethaneDTXSID90334386Aminopoly(ethylene glycol) methyl etherRefChem:454062DTXCID00285476608-642-9m-PEG2-aminemPEG2-NH2MFCD090329412-(2-methoxyethoxy)ethan-1-amine

展开更多名称

氨基二甘醇单甲醚氨基-甲基二乙二醇甲基-PEG2-胺甲氧基二聚乙二醇氨基m-PEG2-NH3甲基-二聚乙二醇-胺2-甲氧基乙氧基乙胺甲氧基-二聚乙二醇-胺甲基-二聚乙二醇-氨基2-(2-甲氧基乙氧基)-乙胺2-(2-Methoxyethoxy)ethylamineMeO-PEG2-NH2NH2-PEG2-OMEMeO-EG(2)-NH2Methyl-PEG2-amineEthanaMine, 2-(2-Methoxyethoxy)-2-(2-Methoxyethoxy)ethoxy]ethenamine

M-PEG-NH22-(2-methoxyethoxyl)ethanaminem-PEG-amine, MW 40,000m-PEG-NH2, MW 10,000m-PEG-NH2, MW 30,000SB75613BP-29559m-PEG-NH2 HCl salt, MW 30,000

数据库标识

CAS: 31576-51-9
PubChem CID: 520530
DTXSID: DTXSID90334386
EC Number: 608-642-9
Nikkaji: J2.145.036G

性质

结构计算性质

XLogP: -1.2
极性表面积: 44.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 5
重原子: 8
形式电荷: 0
复杂度: 41.4

物理化学性质

沸点: 163.7 · 163.7±15.0 °C(Predicted)
密度: 0.934 · 0.934±0.06 g/cm3(Predicted)
折射率: 1.429 · n/D 1.429
储存条件: Keep in dark place,Sealed in dry,Room Temperature
溶解度: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
酸度系数(pKa): 8.75 · 8.75±0.10(Predicted)
形态: Solid
颜色: Colourless to Off-White
稳定性: Hygroscopic
InChI: InChI=1S/C5H13NO2/c1-7-4-5-8-3-2-6/h2-6H2,1H3
InChIKey: QWCGXANSAOXRFE-UHFFFAOYSA-N
SMILES: C(N)COCCOC

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesAcute Tox. 3 (100%)

安全数据

wgk: WGK 3
包装类别: Ⅱ
危险等级: 8
存储类别: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
海关编码: 2922190090
危险性类别: Acute Tox. 3 Oral
危险品运输编号: 3265

化学与工业

制备方法 · 1 条

生产方法2.2.1.3 2-(2-甲氧基乙氧基)乙胺(2d)的合成将N-[2-(2-甲氧基乙氧基)乙基]邻苯二甲酰亚胺(2c)(27 mmol)和一水合肼(43 mmol)在乙醇(30 mL)中的混合物于100℃下回流3小时。反应完成后，将混合物冷却至室温，过滤，并蒸发滤液。向残余物中加入丙酮(50 mL)，过滤沉淀。随后，将滤液减压浓缩，得到橙色油状物2d，产率为62%。 1H NMR (500 MHz, CDCl3): δ 1.83 (s, 1H), 2.00 (s, 1H), 2.15 (s, 1H), 2.87 (t, J = 5.3 Hz, 1H), 3.35-3.39 (m, 2H), 3.41 (t, J = 6.4 Hz, 1H), 3.50 (t, J = 5.3 Hz, 1H), 3.52-3.55 (m, 2H), 3.60 (dd, J = 5.7, 3.3 Hz, 1H), 3.64 (dd, J = 5.6, 3.8 Hz, 1H), 3.73 (t, J = 6.5 Hz, 1H) ppm; HR ESI-MS (in MeOH): m/z [M + H]+ calcd. 120.0973, found 120.1047.参考文献：[1] Journal of Organic Chemistry, 2011, vol. 76, # 6, p. 1683 - 1691[2] Journal of Organic Chemistry, 2010, vol. 75, # 3, p. 598 - 610[3] Inorganica Chimica Acta, 2016, vol. 452, p. 159 - 169[4] Patent: WO2009/109035, 2009, A1. Location in patent: Page/Page column 57-58