N,N-二乙基乙醇胺盐酸盐 | 14426-20-1

• 物质功能分类: 有机原料 - 氨基化合物 - 无环单胺、多胺及其衍生物和盐
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N,N-二乙基乙醇胺盐酸盐
• 中文别名: 2-二乙基氨基乙醇盐酸盐；二乙氨基乙醇盐酸盐
• 英文名称: N,N-diethylethanolammonium chloride
• 英文别名: diethylaminoethanol hydrochloride；EAC；2-Diaethylamino-aethanol-(1)-hydrochlorid；2-(diethylamino)ethanol;hydron;chloride
• CAS: 14426-20-1
• 化学式: C₆H₁₅NO*ClH
• 分子量: 153.652
• InChiKey: DBQUKJMNGUJRFI-UHFFFAOYSA-N

物化性质

• 熔点：
  133°C
• 溶解度：
  氯仿（微溶）、甲醇（微溶）、水（微溶）
• 稳定性/保质期：

  常温常压下稳定，避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0.74
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• TSCA：
  Yes
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• RTECS号：
  KK5553400
• 海关编码：
  2921199090
• 储存条件：
  常温下应密闭避光保存，并保持干燥通风的环境。

SDS

---

Section I.Chemical Product and Company Identification
Chemical Name 2-Diethylaminoethanol Hydrochloride
Portland OR
Synonym N,N-Diethylethanolamine Hydrochloride
Chemical Formula (C2H5)2NCH2CH2OH•HCl
CAS Number 14426-20-1

---

Section II. Composition and Information on Ingredients
Chemical Name CAS Number Percent (%) TLV/PEL Toxicology Data
2-Diethylaminoethanol Hydrochloride 14426-20-1 Min. 98.0 (T) Not available. Mouse LD50 (subcutaneous)
1260mg/kg
Mouse LD50 (intravenous)
458mg/kg
Mouse LD50 (intraperitoneal)
1162mg/kg

---

Section III. Hazards Identification
No specific information is available in our data base regarding the toxic effects of this material for humans. However,
Acute Health Effects
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
CARCINOGENIC EFFECTS : Not available.
Chronic Health Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is
not known to aggravate existing medical conditions.

---

Section IV. First Aid Measures
Eye Contact Check for and remove any contact lenses. IMMEDIATELY flush eyes with running water for at least 15 minutes, keeping
eyelids open. COLD water may be used. DO NOT use an eye ointment. Flush eyes with running water for a minimum of
15 minutes, occasionally lifting the upper and lower eyelids. Seek medical attention. Treat symptomatically and
supportively.
Skin Contact After contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin with
running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. COLD water
may be used. Cover the irritated skin with an emollient. Seek medical attention. Treat symptomatically and supportively.
Wash any contaminated clothing before reusing.
Inhalation If the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If
breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
Ingestion INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Loosen tight clothing such as a collar, tie, belt, or waistband. If the victim is not breathing, administer artificial respiration.
Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material
was ingested; the absence of such signs, however, is not conclusive. Seek immediate medical attention and, if possible,
show the chemical label. Treat symptomatically and supportively.

---

Section V. Fire and Explosion Data
Not available.
Flammability Combustible. Auto-Ignition
Flash Points Flammable Limits
Not available. Not available.
Combustion Products
These products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NO, NO2), halogenated compounds.
WARNING: Highly toxic HCl gas is produced during combustion.
Fire Hazards
No specific information is available regarding the flammability of this compound in the presence of various materials.
Continued on Next Page
2-Diethylaminoethanol Hydrochloride
Risks of explosion of the product in presence of mechanical impact: Not available.
Explosion Hazards
Risks of explosion of the product in presence of static discharge: Not available.
No additional information is available regarding the risks of explosion.
Fire Fighting Media
SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
and Instructions LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.

---

Section VI. Accidental Release Measures
Spill Cleanup
In case of a spill and/or a leak, always shut off any sources of ignition, ventilate the area, and exercise caution. Use a
shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
Instructions
contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
disposal.

---

Section VII. Handling and Storage
Handling and Storage Keep away from heat and sources of ignition. Mechanical exhaust required. When not in use, tightly seal the container
and store in a dry, cool place. Avoid excessive heat and light. DO NOT breathe dust. In case of insufficient ventilation,
Information
wear suitable respiratory equipment. If you feel unwell, seek medical attention and show the label when possible. Treat
symptomatically and supportively. Avoid contact with skin and eyes.
Always store away from incompatible compounds such as oxidizing agents.

---

Section VIII. Exposure Controls/Personal Protection
Engineering Controls Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal Protection Splash goggles. Lab coat. Dust respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid
inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling
this product.
Exposure Limits Not available.

---

Section IX. Physical and Chemical Properties
Solubility
Physical state @ 20°C Powder. Soluble in cold water, hot water.
Not available.
Specific Gravity
Molecular Weight 153.65 Partition Coefficient Not available.
Boiling Point Not available. Vapor Pressure Not available.
Melting Point 133°C (271.4°F) Vapor Density Not available.
Not available. Volatility Not available.
Refractive Index
Critical Temperature Odor Not available.
Not available.
Not available. Not available.
Viscosity Taste

---

Section X. Stability and Reactivity Data
Stability

---

This material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of Instability
Avoid excessive heat and light.
Incompatibilities
Reactive with oxidizing agents.

---

Section XI. Toxicological Information
RTECS Number KK5553400
Routes of Exposure Eye contact. Inhalation. Ingestion.
Mouse LD50 (subcutaneous) 1260mg/kg
Toxicity Data
Mouse LD50 (intravenous) 458mg/kg
Mouse LD50 (intraperitoneal) 1162mg/kg
Chronic Toxic Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
known to aggravate existing medical conditions.
Acute Toxic Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Continued on Next Page
2-Diethylaminoethanol Hydrochloride

---

Section XII. Ecological Information
Ecotoxicity Not available.
Environmental Fate Not available.

---

Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with
Waste Disposal
a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state, and local regulations when disposing of this substance.

---

Section XIV. Transport Information
DOT Classification Not a DOT controlled material (United States).
PIN Number Not applicable.
Proper Shipping Name
Not applicable.
Packing Group (PG) Not applicable.
DOT Pictograms

---

Section XV. Other Regulatory Information and Pictograms
TSCA Chemical Inventory This compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.
(EPA)
WHMIS Classification
Not available.
(Canada)
EINECS Number (EEC) Not available.
EEC Risk Statements Not available.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N,N-二乙基乙醇胺盐酸盐 在 氯化亚砜 作用下， 生成 N,N-二乙基氯乙胺
  参考文献：
  名称：

  Greene, American Journal of Pharmacy and the Sciences Supporting Public Health (1937-1978), 1948, vol. 120, p. 41

  摘要：

  DOI：
• 作为产物：
  描述：

  二乙氨基乙醇 在 盐酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 2.0h， 生成 N,N-二乙基乙醇胺盐酸盐
  参考文献：
  名称：

  Diethanolamine and N,N-diethylethanolamine ionic liquids as precatalyst-precursors and reaction media in green Heck reaction protocol

  摘要：

  It was found that Heck reaction with PdCl2 in diethanolamine and N,N-diethylethanolamine ionic liquids (ILs) is more efficient than analogous reactions performed in classical organic solvents. The used Its facilitate solubility of the Pd(II) precatalysts, increase catalyst stability during the reaction, and function as reaction media, bases, precatalyst-precursors, good coordinating ligands, and mobile support for active Pd species. Thus, Heck reaction occurs without additional solvents, ligands and bases, that makes experimental procedure much simpler. Our DFT investigation provides mechanistic insight into the formation of the trans-[PdCl2(DEA)(2)] complex that acts as a precatalyst. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2010.05.010

文献信息

• Use of (-) (3-trihalomethylphenoxy) (4-halophenyl) acetic acid derivatives for treatment of insulin resistance, Type 2 diabetes, hyperlipidemia and hyperuricemia
  申请人：Metabolex, Inc.

  公开号：US20030220399A1

  公开（公告）日：2003-11-27

  The present invention provides the use of (−) (3-trihalomethylphenoxy) (4-halophenyl) acetic acid derivatives and compositions in the treatment of insulin resistance, Type 2 diabetes, hyperlipidemia and hyperuricemia.

  本发明提供了在治疗胰岛素抵抗、2型糖尿病、高脂血症和高尿酸血症中使用(−)(3-三卤甲基苯氧基)(4-卤苯基)乙酸衍生物和组合物的方法。
• Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives
  申请人：Sugen. Inc.

  公开号：US20030100555A1

  公开（公告）日：2003-05-29

  The present invention relates to pyrrole substituted 2-indolinone compounds and their pharmaceutically acceptable salts which modulate the activity of protein kinases and therefore are expected to be useful in the prevention and treatment of protein kinase related cellular disorders such as cancer.

  本发明涉及吡咯替代的2-吲哚酮化合物及其药学上可接受的盐，这些化合物调节蛋白激酶的活性，因此预计在预防和治疗蛋白激酶相关的细胞疾病，如癌症方面具有用处。
• 去氧胆酸衍生物、其制备方法、药物组合物及 用途
  申请人：宁波百纳西药业有限公司

  公开号：CN108218945B

  公开（公告）日：2021-05-28

  本发明公开了一种去氧胆酸衍生物、其制备方法、药物组合物及用途。本发明的去氧胆酸衍生物能屏蔽去氧胆酸类药物的苦味或对胃肠道的刺激，水溶性好，生物利用度高，更适用于改善法尼醇X受体。
• Presynaptic Cholinergic Modulators as Potent Cognition Enhancers and Analgesic Drugs. 1. Tropic and 2-Phenylpropionic Acid Esters
  作者：Fulvio Gualtieri、Gabriele Conti、Silvia Dei、Maria Paola Giovannoni、Francesca Nannucci、Maria Novella Romanelli、Serena Scapecchi、Elisabetta Teodori、Luisa Fanfani、Carla Ghelardini、Alberto Giotti、Alessandro Bartolini

  DOI：10.1021/jm00037a022

  日期：1994.5

  of obtaining drugs which are able to increase ACh release and consequently to show analgesic and nootropic activities. The results showed that several new compounds are indeed potent analgesics (with an analgesic efficacy comparable to that of morphine) and that the most potent one ((+/-)-19, PG9) also has remarkable cognition-enhancing properties. Our study confirmed that the mechanism of action involves

  先前的研究表明，（R）-（+）-hyscyamine具有镇痛活性，这是由于中央毒蕈碱自体受体拮抗后ACh释放增加所致。由于增强中央胆碱能传递可能对认知障碍有益，因此我们操纵了（R）-（+）-水苏胺，合成了几种热带和2-苯基丙酸衍生物，目的是获得能够增加ACh释放的药物因此具有镇痛和促智作用。结果表明，几种新化合物确实是有效的镇痛药（镇痛作用与吗啡相当），并且最有效的一种（（+/-）-19，PG9）也具有显着的认知增强特性。
• Ruthenium-catalyzed heteroannulation of anilines with alkanolammonium chlorides leading to indoles
  作者：Chan Sik Cho、Jin Hwang Kim、Tae-Jeong Kim、Sang Chul Shim

  DOI：10.1016/s0040-4020(01)00202-2

  日期：2001.4

  Anilines react with alkanolammonium chlorides in an aqueous medium (H2O–dioxane) at 180°C in the presence of a catalytic amount of a ruthenium catalyst together with SnCl2·2H2O to afford the corresponding indoles in moderate to good yields. Especially, when triisopropanolammonium chloride is employed to react with anilines, 2-methylindoles are formed regioselectively. The presence of SnCl2·2H2O is

  在催化量的钌催化剂和SnCl 2 ·2H 2 O的存在下，苯胺在水性介质（H 2 O-二恶烷）中在180°C下与链烷醇氯化铵反应，以中等至良好的收率得到相应的吲哚。特别是，当使用氯化三异丙基丙铵与苯胺反应时，区域选择性地形成2-甲基吲哚。的SnCl存在2 ·2H 2 O为必需的有效形成吲哚。针对该催化过程，提出了一种涉及链烷醇基团从链烷醇胺转移至苯胺，苯胺被苯胺链烷醇进行N-烷基化以及1,2-二苯胺基烷烃的杂环化反应的反应途径。

表征谱图