N-甲基乙基胺盐酸盐 | 624-60-2

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-甲基乙基胺盐酸盐
• 中文别名: N-乙基甲胺盐酸盐；N-甲基乙胺盐酸盐；甲乙胺盐酸盐
• 英文名称: N-methyl-ethylamine hydrochloride
• 英文别名: N-methylethanamine hydrochloride；ethyl(methyl)azanium;chloride
• CAS: 624-60-2
• 化学式: C₃H₉N*ClH
• mdl: MFCD00051403
• 分子量: 95.5721
• InChiKey: GEHLEADVHVVTET-UHFFFAOYSA-N

物化性质

• 熔点：
  126-130 C
• 沸点：
  106C/6Torr
• 密度：
  1,176g/cm
• 稳定性/保质期：
  常温常压下稳定，避免与强氧化剂接触。 与强氧化剂、强碱反应。

计算性质

• 辛醇/水分配系数(LogP)：
  0.16
• 重原子数：
  5
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  16.6
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 安全说明：
  S24/25
• 危险品运输编号：
  UN 2810
• 海关编码：
  2921199090
• 危险类别码：
  R34
• WGK Germany：
  3
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  密封储存，存放在阴凉、干燥的库房中，并需冷藏。

SDS

Name:	1 2-Diiodoethane 99% Material Safety Data Sheet
Synonym:	Ethylene Iodid
CAS:	624-60-2

Section 1 - Chemical Product MSDS Name:1 2-Diiodoethane 99% Material Safety Data Sheet
Synonym:Ethylene Iodid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
624-60-2	Ethanamine, n-methyl-, hydrochloride	99.0	210-854-8

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Light sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. No information regarding eye irritation and other potential effects was found.
Skin:
May cause skin irritation. No information regarding skin irritation and other potential effects was found.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
The toxicological properties of this substance have not been fully investigated.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use only in a well-ventilated area.
Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.)

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 624-60-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystals
Color: slightly brown
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 81.00 - 84.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 2.1320g/cm3
Molecular Formula: C2H4I2
Molecular Weight: 281.85

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen iodide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 624-60-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethanamine, n-methyl-, hydrochloride - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 624-60-2: No information available.
Canada
CAS# 624-60-2 is listed on Canada's NDSL List.
CAS# 624-60-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 624-60-2 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-吡啶乙腈 、 N-甲基乙基胺盐酸盐 在 sodium methylate 作用下， 以 甲醇 为溶剂， 以7%的产率得到N-ethyl-N-methyl-2-pyridin-3-ylethanimidamide
  参考文献：
  名称：

  Homoazanicotine:  A Structure-Affinity Study for Nicotinic Acetylcholine (nACh) Receptor Binding

  摘要：

  We have recently identified 3-[(1-methyl)-4,5-dihydro-1H-imidazol-2-yl)methyl]pyridine (homo-azanicotine, 8) as a novel nicotinic acetylcholinergic (nACh) receptor ligand. In the present investigation, after we determined that 8 binds selectively at nicotinic (K-i = 7.8 nM) vs muscarinic (K-i > 10 000 nM) acetylcholinergic receptors, we examined its structure-affinity relationships for nACh receptor binding. The features investigated included the influence of (i) the composition of connector that separates the two rings, (ii) the N-methyl group, (iii) the ring opening of the imidazoline ring, (iv) the pyridine nitrogen atom, and (v) the aromatization of the imidazoline ring on nACh receptor affinity. As with nicotine, the parent structure seems optimal and most structural changes reduce nACh receptor affinity. Also, as with nicotine analogues, alteration of the spacer group influences affinity in a manner that is somewhat different than that seen with the parent structure.

  DOI：

  10.1021/jm020188s
• 作为产物：
  描述：

  N-甲基乙酰胺 在 tris(bis(trimethylsilyl)amido)lanthanum(III) 、 频那醇硼烷 、 盐酸 作用下， 以 苯 、 甲醇 为溶剂， 反应 72.0h， 以66%的产率得到N-甲基乙基胺盐酸盐
  参考文献：
  名称：

  La[N(SiMe3)2]3 – 用频哪硼烷催化酰胺脱氧还原。范围和机制

  摘要：

  Tris[N,N-双(三甲基甲硅烷基)酰胺]镧 (LaNTMS) 是一种高效且选择性的均相催化剂，用于在温和温度 (25-60 °C) 下用频哪醇硼烷 (HBpin) 对叔酰胺和仲酰胺进行脱氧还原。产生胺和 O(Bpin)2 的反应很好地耐受硝基、卤化物和氨基官能团，并且这种酰胺还原对于分子间和分子内烯烃/炔烃硼氢化反应是完全选择性的。动力学研究表明，酰胺还原遵循一种不寻常的混合级速率定律，该定律被认为源于催化剂配合物与 HBpin 的饱和。动力学和热力学研究、同位素标记和使用能量跨度分析的 DFT 计算表明 [(Me3Si)2N]2La-OCHR(NR'2)[HBpin] 活性催化剂的作用，并且氢化物转移被认为是以配体为中心的.

  DOI：

  10.1021/jacs.0c02446

文献信息

• [EN] PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE PROTÉINE TYROSINE PHOSPHATASE ET LEURS MÉTHODES D'UTILISATION
  申请人：CALICO LIFE SCIENCES LLC

  公开号：WO2021127499A1

  公开（公告）日：2021-06-24

  Provided herein are compounds, compositions, and methods useful for inhibiting protein tyrosine phosphatase, e.g, protein tyrosine phosphatase non-receptor type 2 (PTPN2) and/or protein tyrosine phosphatase non-receptor type 1 (PTPN1), and for treating related diseases, disorders and conditions favorably responsive to PTPN1 or PTPN2 inhibitor treatment, e.g, a cancer or a metabolic disease.

  本文提供了用于抑制蛋白酪氨酸磷酸酶的化合物、组合物和方法，例如蛋白酪氨酸磷酸酶非受体型2（PTPN2）和/或蛋白酪氨酸磷酸酶非受体型1（PTPN1），以及用于治疗对PTPN1或PTPN2抑制剂治疗有良好反应的相关疾病、紊乱和状况的方法，例如癌症或代谢性疾病。
• 化合物及其用途
  申请人：清华大学

  公开号：CN105693634B

  公开（公告）日：2018-12-11

  本发明公开了化合物及其用途，其中，该化合物为式(I)所示化合物或者式(I)所示的化合物的立体异构体、药学可接受的盐、溶剂合物或前药，本发明的化合物能够通过效应RRM2抑制肿瘤细胞增殖，并抑制肿瘤干细胞的再生，从而能够有效用于制备预防或治疗增殖性疾病的药物，尤其是抗肿瘤的药物。
• SMALL MOLECULE CMKLR1 ANTAGONISTS IN INFLAMMATORY DISEASE
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US20200345661A1

  公开（公告）日：2020-11-05

  α-NETA analogs are provided for the treatment of inflammatory disease.

  α-NETA类似物用于治疗炎症性疾病。
• [EN] COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION<br/>[FR] COMPOSÉS POUR LA RÉDUCTION DE LA PRODUCTION DE ß-AMYLOÏDE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012103297A1

  公开（公告）日：2012-08-02

  The present disclosure provides a series of compounds of the formula (I), which modulate β-amyloid peptide (β-ΑΡ) production and are useful in the treatment of Alzheimer's Disease and other conditions affected by β-amyloid peptide (β-ΑΡ) production.

  本公开提供了一系列化合物的公式(I)，这些化合物调节β-淀粉样肽(β-ΑΡ)的产生，并且在治疗阿尔茨海默病和其他受β-淀粉样肽(β-ΑΡ)产生影响的疾病中有用。
• Structure-activity analysis of peptidic Chlamydia HtrA inhibitors
  作者：Ayodeji A. Agbowuro、Jimin Hwang、Emma Peel、Rami Mazraani、Alexandra Springwald、James W. Marsh、Laura McCaughey、Allan B. Gamble、Wilhelmina M. Huston、Joel D.A. Tyndall

  DOI：10.1016/j.bmc.2019.07.049

  日期：2019.9

  Chlamydia trachomatis high temperature requirement A (CtHtrA) is a serine protease that performs proteolytic and chaperone functions in pathogenic Chlamydiae; and is seen as a prospective drug target. This study details the strategies employed in optimizing the irreversible CtHtrA inhibitor JO146 [Boc-Val-Pro-ValP(OPh)2] for potency and selectivity. A series of adaptations both at the warhead and specificity

  沙眼衣原体高温需要A（CtHtrA）是一种丝氨酸蛋白酶，在致病性衣原体中具有蛋白水解和伴侣功能。并被视为潜在的药物目标。这项研究详细介绍了针对效力和选择性优化不可逆CtHtrA抑制剂JO146 [Boc-Val-Pro-Val P（OPh）2 ]的策略。弹头和特异性残基P 1和P 3的一系列适应作用产生了23种类似物，已在人嗜中性弹性蛋白酶（HNE）和CtHtrA酶检测以及衣原体检测中进行了测试。细胞培养测定。还进行了胰蛋白酶和胰凝乳蛋白酶抑制试验以测量脱靶选择性。用α-酮基苯并噻唑代替膦酸酯部分可产生可逆的类似物，并具有相当大的CtHtrA抑制作用和细胞培养活性。在P 3（8a）处的叔亮氨酸对CtHtrA的抑制活性提高了约33倍， 对HNE的IC 50 = 0.68±0.02 µM，而在P 1处的缬氨酸保留了最佳的抗衣原体活性。这项研究提供了获得临床相关抑制剂的途径。

表征谱图