4-氯-6-环己基氨基嘧啶 | 61667-11-6

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4-氯-6-环己基氨基嘧啶
• 中文别名: 6-氯-N-环己基-4-嘧啶胺
• 英文名称: 4-chloro-6-cyclohexylaminopyrimidine
• 英文别名: (6-chloro-pyrimidin-4-yl)-cyclohexyl-amine；4-Chlor-6-cyclohexylaminopyrimidin；6-chloro-N-cyclohexylpyrimidin-4-amine
• CAS: 61667-11-6
• 化学式: C₁₀H₁₄ClN₃
• mdl: MFCD03669655
• 分子量: 211.694
• InChiKey: LOQWQFMFWLXZIU-UHFFFAOYSA-N

物化性质

• 溶解度：
  >31.8 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933599090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Chloro-6-cyclohexylaminopyrimidine
Synonyms: 6-Chloro-N-cyclohexylpyrimidin-4-amine

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 4-Chloro-6-cyclohexylaminopyrimidine
CAS number: 61667-11-6

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C10H14ClN3
Molecular weight: 211.7

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N-丙基环丙甲胺 、 4-氯-6-环己基氨基嘧啶 以 四氢呋喃 为溶剂， 反应 66.0h， 以64%的产率得到6-cyclohexylamino-4-(N-cyclopropylmethyl-N-propylamino)pyrimidine
  参考文献：
  名称：

  通过 1H 和 13C NMR 光谱中的谱线展宽效应鉴定氨基嘧啶区域异构体

  摘要：

  作为我们药物化学计划的一部分，合成了取代的单氨基和二氨基嘧啶。由于存在旋转异构体，在 4 位取代的伯胺在 1H 和 13C NMR 光谱中表现出室温谱线展宽效应，但在 2 位取代基没有观察到这些效应。这为识别区域异构体提供了一种简单的诊断工具，否则需要二维实验才能确定。

  DOI：

  10.1071/ch03316
• 作为产物：
  描述：

  4,6-二氯嘧啶 、 环己胺 以 水 为溶剂， 反应 72.0h， 以34%的产率得到4-氯-6-环己基氨基嘧啶
  参考文献：
  名称：

  通过 1H 和 13C NMR 光谱中的谱线展宽效应鉴定氨基嘧啶区域异构体

  摘要：

  作为我们药物化学计划的一部分，合成了取代的单氨基和二氨基嘧啶。由于存在旋转异构体，在 4 位取代的伯胺在 1H 和 13C NMR 光谱中表现出室温谱线展宽效应，但在 2 位取代基没有观察到这些效应。这为识别区域异构体提供了一种简单的诊断工具，否则需要二维实验才能确定。

  DOI：

  10.1071/ch03316

文献信息

• SUBSTITUTED PYRIDINES AND PYRIMIDINES
  申请人：Mihovilovic Marko

  公开号：US20120294835A1

  公开（公告）日：2012-11-22

  Provided is a compound of formula (I), and/or salt thereof, wherein the radicals have various meanings, a process for producing cardiomyocyte-like cells from mammalian cells by culturing mammalian cells in the presence of the compound of formula (I), the pharmaceutical use of compounds of formula (I) for producing cardiomyocyte-like cells from omnipotent, pluripotent, or lineage committed mammalian cells, and the use of thus produced cardiomyocyte-like cells for treating disorders associated with impaired function of the heart.

  提供的是式（I）的化合物和/或其盐， 其中基团具有各种含义，一种从哺乳动物细胞中培养类心肌细胞的方法，通过在存在式（I）的化合物的情况下培养哺乳动物细胞，化合物式（I）用于从全能、多能或已分化的哺乳动物细胞中产生类心肌细胞的药用途，以及用于治疗与心脏功能受损有关的疾病的由此产生的类心肌细胞。
• [EN] SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE - LIKE CELLS<br/>[FR] PYRIDINES ET PYRIMIDINES SUBSTITUÉES
  申请人：UNIV WIEN TECH

  公开号：WO2011079343A3

  公开（公告）日：2011-10-13
• KEIR W. F.; WOOD H. C. S., J. CHEM. SOC. PERKIN TRANS., PART 1 <JCPK-BH>, 1976, NO 17, 1847-1852
  作者：KEIR W. F.、 WOOD H. C. S.

  DOI：——

  日期：——
• SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS
  申请人：Technische Universität Wien

  公开号：EP2519501B1

  公开（公告）日：2015-04-22
• US8986994B2
  申请人：——

  公开号：US8986994B2

  公开（公告）日：2015-03-24