2-羟乙胺丙胺 | 4461-39-6

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-羟乙胺丙胺
• 中文别名: N-羟乙基-1,3-丙二胺；N-(2-羟乙基)-1,3-丙二胺
• 英文名称: 2-[(3-aminopropyl)amino]ethanol
• 英文别名: N-(2-hydroxyethyl)-1,3-propanediamine；2-((3-aminopropyl)amino)ethan-1-ol；(3-((2-hydroxyethyl)amino)propyl)amine；2-(3-aminopropylamino)ethanol
• CAS: 4461-39-6
• 化学式: C₅H₁₄N₂O
• 分子量: 118.179
• InChiKey: GHKSKVKCKMGRDU-UHFFFAOYSA-N

物化性质

• 熔点：
  15-19 °C
• 沸点：
  250-252 °C(lit.)
• 密度：
  1.007 g/mL at 20 °C(lit.)
• 闪点：
  152 °C
• 溶解度：
  可溶于氯仿（少许）、DMSO（少许）、甲醇（少许）
• 稳定性/保质期：
  在常温常压下，它是一种浅色透明的液体，稳定且易溶于水。

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  8
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  58.3
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 危险等级：
  8
• 危险品标志：
  C
• 危险类别码：
  R35
• 危险品运输编号：
  UN 2735 8/PG 3
• WGK Germany：
  3
• 海关编码：
  29221980
• 包装等级：
  III
• 危险类别：
  8
• 安全说明：
  S26,S36/37/39,S45
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H314
• 储存条件：
  请将药品存放在避光、通风干燥的地方，并密封保存。

SDS

Name:	N-(2-Hydroxyethyl)-1 3-propanediamine 97+% Material Safety Data Sheet
Synonym:	None known
CAS:	4461-39-6

Section 1 - Chemical Product MSDS Name:N-(2-Hydroxyethyl)-1 3-propanediamine 97+% Material Safety Data Sheet
Synonym:None known

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
4461-39-6	N-(2-Hydroxyethyl)-1,3-propanediamine	97+	224-718-0

Hazard Symbols: C
Risk Phrases: 35

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes severe burns.Corrosive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. The toxicological properties of this substance have not been fully investigated. May cause systemic effects.
Inhalation:
Causes chemical burns to the respiratory tract. The toxicological properties of this substance have not been fully investigated. May cause systemic effects.
Chronic:
No information found.

---

Section 4 - FIRST AID MEASURES
Eyes: Get medical aid. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. 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:
If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:

---

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Avoid contact with eyes, skin, and clothing. Do not breathe dust, vapor, mist, or gas. Keep container tightly closed. Avoid ingestion and inhalation. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 4461-39-6: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear, colorless
Odor: None reported.
pH: 11-12 (20g/L aq. soln)
Vapor Pressure: <0.1 mbar @ 20
Viscosity: 164 mPas 20 deg C
Boiling Point: 255 deg C @ 760.00mm Hg
Freezing/Melting Point: 15-19 deg C
Autoignition Temperature: 325 deg C ( 617.00 deg F)
Flash Point: 152 deg C ( 305.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: >250 deg C
Solubility in water: miscible
Specific Gravity/Density: 1.0070g/cm3
Molecular Formula: C5H14N2O
Molecular Weight: 118.20

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Moisture, excess heat.
Incompatibilities with Other Materials:
Acidic conditions, acids, strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, nitrogen oxides (NOx) and ammonia (NH3).
Hazardous Polymerization: Has not been reported.

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 4461-39-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-(2-Hydroxyethyl)-1,3-propanediamine - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

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

---

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: POLYAMINES, LIQUID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 2735
Packing Group: II
IMO
Shipping Name: POLYAMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: II
RID/ADR
Shipping Name: POLYAMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing group: II

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 35 Causes severe burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 4461-39-6: 2
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4461-39-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4461-39-6 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  3-[(2-羟乙基)氨基]丙酰胺	N-(ethanol-2-yl)aminopropionic acid amide	27076-30-8	C5H12N2O2	132.162
  3-[(2-羟基乙基)氨基]丙腈	3-(2-Hydroxyethylamino)propionitrile	33759-44-3	C5H10N2O	114.147

反应信息

• 作为反应物：
  描述：

  2-羟乙胺丙胺 在 五氯化磷 作用下， 以 四氯化碳 为溶剂， 反应 20.0h， 以90%的产率得到哌嗪
  参考文献：
  名称：

  LJ反应在光延反应中的应用

  摘要：

  本发明涉及一种LJ分子内异构新反应，在光延反应中的应用，应用五卤化磷替代经典的光延反应偶联试剂，可使大部分的光延反应提高收率，降低成本，达到清洁生产工艺的标准。

  公开号：

  CN102442957B
• 作为产物：
  描述：

  3-[(2-羟基乙基)氨基]丙腈 在 rhodium(III) oxide 、 gold oxide 、 氢气 作用下， 82.0~83.0 ℃ 、2.0 MPa 条件下， 反应 18.0h， 以98.2%的产率得到2-羟乙胺丙胺
  参考文献：
  名称：

  一种氨磷汀的合成方法

  摘要：

  本发明公开了一种氨磷汀的合成方法，包括如下步骤：(1)使式(Ⅳ)所示化合物与氢气在氧化铑、氧化金和雷尼镍的共同存在下反应生成式(Ⅲ)所示化合物；(2)使式(Ⅲ)所示化合物与溴化氢在水和C1‑5醇类溶剂的混合溶剂中、在0‑20℃下反应生成式(Ⅱ)所示化合物；(3)使式(Ⅱ)所示化合物与硫代磷酸钠反应制成式(I)所示的氨磷汀；本发明能够兼具获得高收率与高纯度的产物，且工艺简单，适于工业化生产。

  公开号：

  CN109942623A
• 作为试剂：
  描述：

  2-[1-(Difluoromethyl)cyclopropyl]isoindole-1,3-dione 在 2-羟乙胺丙胺 作用下， 以5.8 g的产率得到1-(difluoromethyl)cyclopropan-1-amine
  参考文献：
  名称：

  一种稠环化合物及其应用

  摘要：

  本发明公开了一种稠环化合物及其应用。本发明提供了一种如式I所示的稠环化合物或其药学上可接受的盐。该化合物的结构新颖，具有较佳的SOS1抑制活性。

  公开号：

  CN115197217A

文献信息

• [EN] SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME<br/>[FR] COMPOSÉS 1,1'-BIPHÉNYLE SUBSTITUÉS, ANALOGUES DE CEUX-CI, ET PROCÉDÉS LES UTILISANT
  申请人：ARBUTUS BIOPHARMA INC

  公开号：WO2019191624A1

  公开（公告）日：2019-10-03

  The present invention includes substituted 3,3'-bis(phenoxymethyl)-1,1'-biphenyl compounds, analogues thereof, and compositions comprising the same, that can be used to treat or prevent hepatitis B virus (HBV) and/or hepatitis D virus (HDV) infections in a patient.

  本发明涵盖了替代的3,3'-双(苯氧甲基)-1,1'-联苯化合物，其类似物，以及包含它们的组合物，可用于治疗或预防患者体内的乙型肝炎病毒（HBV）和/或丙型肝炎病毒（HDV）感染。
• [EN] NOVEL IMIDAZOPYRAZINE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS D'IMIDAZOPYRAZINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2021249896A1

  公开（公告）日：2021-12-16

  The invention provides novel imidazopyrazine derivatives having the general formula (I), wherein Rx and R3 to R5 are as described herein (formula (I)) or pharmaceutically acceptable salts thereof. Further provided are pharmaceutical compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds as medicaments, in particular methods of using the compounds as antibiotics for the treatment or prevention of bacterial infections and resulting diseases.

  这项发明提供了具有一般式(I)的新型咪唑吡嗪衍生物，其中Rx和R3至R5如本文所述（式(I)）或其药学上可接受的盐。还提供了包括这些化合物的药物组合物、制造这些化合物的方法以及将这些化合物用作药物的方法，特别是将这些化合物用作抗生素治疗或预防细菌感染及由此导致的疾病的方法。
• 一种应用于环氧树脂的含DOPO和羟基的反应型阻燃剂及其制备方法
  申请人：福建师范大学

  公开号：CN111499664A

  公开（公告）日：2020-08-07

  本发明公开了一种应用于环氧树脂的含DOPO和羟基的反应型阻燃剂及其制备方法，该阻燃剂的结构为：其中R为(CH2)x,x为2，3，4或5中的任意一个数值。该阻燃剂以羟乙基胺和DOPO为原料，通过一锅法制备而得，具有合成工艺简单，操作安全，周期短，产率高，所需原料来源广泛等优点。同时，阻燃剂结构中含有磷杂菲、磷‑氮、羟基和胺基等基团，利用羟基和胺基均可参与环氧树脂的固化反应，改善阻燃剂与环氧树脂的相容性，提高环氧树脂固化物的力学性能。而磷杂菲、磷‑氮基团具有较好的阻燃作用，又可赋予环氧树脂固化物很好的阻燃性能，从而拓宽环氧树脂的应用领域。
• Synthesis and biological evaluation of new fluorinated and chlorinated indenoisoquinoline topoisomerase I poisons
  作者：Daniel E. Beck、Wei Lv、Monica Abdelmalak、Caroline B. Plescia、Keli Agama、Christophe Marchand、Yves Pommier、Mark Cushman

  DOI：10.1016/j.bmc.2016.02.015

  日期：2016.4

  nitro group at the 3-position of indenoisoquinoline topoisomerase IB (Top1) poisons. A number of strategies were employed in the present investigation to enhance the Top1 inhibitory potencies and cancer cell growth inhibitory activities of halogenated indenoisoquinolines. In several cases, the new compounds' activities were found to rival or surpass those of similarly substituted 3-nitroindenoisoquinolines

  氟和氯在代谢上是稳定的，但通常在茚并异喹啉拓扑异构酶IB（Top1）毒物的3位上取代硝基的活性较低。在本研究中采用了多种策略来增强卤代茚并异喹啉的Top1抑制能力和癌细胞生长抑制活性。在某些情况下，发现新化合物的活性可与同类取代的3-硝基茚并异喹啉类药物媲美或超越，并通过在人类癌细胞培养物中进行测试发现了几种异常有效的类似物。发现两种卤代茚并异喹啉Top1抑制剂的内酰胺氮上的羟乙基氨基丙基侧链也具有对酪氨酰DNA磷酸二酯酶1和2（TDP1和TDP2）的抑制活性，
• [EN] FMS-LIKE TYROSINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE TYROSINE KINASE DE TYPE FMS
  申请人：3SM BIOTRON INC

  公开号：WO2019191896A1

  公开（公告）日：2019-10-10

  Provided are compounds of formula (I-1) -(I-4),which can be used as FLT3 inhibitors and for treatment and/or prevention of tumors.

  提供的化合物具有(I-1) -(I-4)的结构式，可用作FLT3抑制剂，用于肿瘤的治疗和/或预防。