4-氨基-6-甲基-1,3,5-三嗪-2-醇 | 16352-06-0

• 物质功能分类: 有机原料 - 氨基化合物 - 环烷胺、芳香单胺、芳香多胺及其衍生物和盐
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 中文名称: 4-氨基-6-甲基-1,3,5-三嗪-2-醇
• 英文名称: 4-amino-6-methyl-1,3,5-triazine-2-ol
• 英文别名: 4-amino-6-methyl-1,3,5-triazin-2-ol；4-amino-6-methyl-1H-[1,3,5]triazin-2-one；4-Amino-6-methyl-1,3,5-triazin-2-ol；4-amino-6-methyl-1H-1,3,5-triazin-2-one
• CAS: 16352-06-0
• 化学式: C₄H₆N₄O
• mdl: MFCD00052767
• 分子量: 126.118
• InChiKey: UUTHDVPZNWJUFV-UHFFFAOYSA-N

物化性质

• 熔点：
  >350
• 沸点：
  233.3±23.0 °C(Predicted)
• 密度：
  1.67±0.1 g/cm3(Predicted)
• 溶解度：
  酸水溶液（微溶）、甲醇（微溶、加热、超声处理）

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  79.8
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S22,S24/25
• 危险类别码：
  R36/37/38
• 海关编码：
  2933699090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温且干燥环境中保存。

SDS

Name:	4-Amino-6-methyl-1 3 5-triazin-2-ol 95+% Material Safety Data Sheet
Synonym:
CAS:	16352-06-0

Section 1 - Chemical Product MSDS Name:4-Amino-6-methyl-1 3 5-triazin-2-ol 95+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
16352-06-0	4-Amino-6-methyl-1,3,5-triazin-2-ol	95+%	unlisted

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.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
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:
Treat symptomatically and supportively.

---

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. Combustion generates toxic fumes.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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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# 16352-06-0: Personal Protective Equipment Eyes: Not available.
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: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 350 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:
Molecular Formula: C4H6N4O
Molecular Weight: 126

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Not available.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 16352-06-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Amino-6-methyl-1,3,5-triazin-2-ol - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

---

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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 16352-06-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16352-06-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16352-06-0 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-氨基-6-甲基-1,3,5-三嗪-2-醇 在 硫酸 作用下， 生成 6-甲基-1,3,5-三嗪-2,4(1h,3h)-二酮
  参考文献：
  名称：

  Chromow-Borisow; Kisarewa, Zhurnal Obshchei Khimii, 1959, vol. 29, p. 3010,3015,3017;engl.Ausg.S.2976,2980,2982

  摘要：

  DOI：
• 作为产物：
  描述：

  acetylcarbamoyl-guanidine 生成 4-氨基-6-甲基-1,3,5-三嗪-2-醇
  参考文献：
  名称：

  US2481526

  摘要：

  公开号：

文献信息

• Synthesis and Antiproliferative Activities of 5-Azacytidine Analogues in Human Leukemia Cells
  作者：Gang Guo、Gang Li、Dan Liu、Qian-Jiao Yang、Yu Liu、Yong-Kui Jing、Lin-Xiang Zhao

  DOI：10.3390/molecules13071487

  日期：——

  Twenty-six 5-azacytidine analogues have been synthesized, including 4-amino- 6-alkyl-1-pyranosyl/ribofuranosyl-1,3,5-triazin-2(1H)-ones 1a-j, 6-amino-4-alkyl/aryl-1- pyranosyl/ribofuranosyl-1,3,5-triazin-2(1H)-ones 2a-f and 4-amino-6-alkyl-1,3,5-triazin-2- yl-1-thio-pyranosides/ribofuranosides 3a-j. The antiproliferative activities of these synthetic analogues were investigated in human leukemia HL-60 cells. Ribofuranosyl Snucleoside 3a, a bioisostere of 5-azacytidine, had a similar antiproliferative ability as that of the latter. Introduction of a methyl at the 6 position of 5-azacytidine and/or replacement of the ribofuranosyl moiety with pyranosyl sugars or disaccharides significantly decreased the antiproliferative activities of the 5-azacytidine derivatives. Several compounds with the replacement of pyranosyl sugars enhanced all-trans retinoic acid-induced differentiation ability in human leukemia HL-60 cells.

  合成了二十六种5-氮杂胞苷类似物，包括4-氨基-6-烷基-1-吡喃糖基/呋喃糖基-1,3,5-三嗪-2(1H)-酮1a-j、6-氨基-4-烷基/芳基-1-吡喃糖基/呋喃糖基-1,3,5-三嗪-2(1H)-酮2a-f和4-氨基-6-烷基-1,3,5-三嗪-2-基-1-硫代吡喃糖基/呋喃糖基3a-j。研究了这些合成类似物在人白血病HL-60细胞中的抗增殖活性。呋喃糖基S核苷3a作为5-氮杂胞苷的生物等排体，具有与后者类似的抗增殖能力。在5-氮杂胞苷的6位引入甲基和/或用吡喃糖基糖或二糖取代呋喃糖基部分显著降低了5-氮杂胞苷衍生物的抗增殖活性。一些用吡喃糖基糖取代的化合物增强了全反式维甲酸诱导的人白血病HL-60细胞的分化能力。
• [EN] QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE QUINOLÉINE EN TANT QU'INHIBITEURS DE PI3-KINASE
  申请人：UCB PHARMA SA

  公开号：WO2010061180A1

  公开（公告）日：2010-06-03

  A series of quinoline derivatives, substituted at the 2-position by a heteroaryl group attached via an alkylene chain optionally linked to a heteroatom, and at the 3-position by a carbocyclic or heterocylic ring, being selective inhibitors of PD kinase enzymes, are accordingly of benefit in medicine, for example in the treatment of inflammatory, autoimmune, cardiovascular, neurodegenerative, metabolic, oncological, nociceptive or ophthalmic conditions.

  一系列喹啉衍生物，在2-位置被通过烷基链连接到杂环芳基团上取代，并在3-位置被碳环或杂环环取代，是选择性PD激酶酶抑制剂，在医学上具有益处，例如用于治疗炎症、自身免疫、心血管、神经退行性、代谢、肿瘤、疼痛或眼科疾病。
• Ultrasound assisted fabrication of a novel optode base on a triazine based Schiff base immobilized on TEOS for copper detection
  作者：Zohreh Parsaee、Nima Karachi、Razieh Razavi

  DOI：10.1016/j.ultsonch.2018.04.007

  日期：2018.10

  substrate through the sol–gel process to detection of copper (II) ions in aqueous solutions. This sensor can determine the copper (II) in the range of 8.54×10−8 to 1.0×10−5 mol L-1 with a low detection limit of 1.53 × 10-8 mol L-1. The optimized geometry of H2L and its copper complex was obtained based on DFT/B3LYP levels of theory with B3LYP/6-311+G(d,p) and LANL2DZ/6-311+G(d,p) basis sets respectively

  这项工作介绍了一种新型的选择性和灵敏的光学传感器，该传感器基于纳米三嗪基席夫碱（H 2 L），通过溶胶-凝胶法在透明玻璃基板上浸入，从而检测水溶液中的铜（II）离子。该传感器可以在8.54×10 -8至1.0×10 -5 mol L -1的范围内确定铜（II），检测限低至1.53×10 -8 mol L -1。H 2的优化几何形状根据DFT / B3LYP理论水平分别使用B3LYP / 6-311 + G（d，p）和LANL2DZ / 6-311 + G（d，p）基础集获得L及其铜络合物。它们的计算电子特性，包括分子轨道，Mulliken种群分析，静电势轮廓和分子静电势图，证实了传感器的性能。所制造的传感器的一些优点，例如高选择性，灵敏度，短响应时间，易于生产，快速再生，低成本，便于携带和用户友好，使其成为在各种应用中检测Cu（II）离子的理想选择。通过电感耦合等离子体质谱（ICP）光谱法
• Chemistry of Dicyandiamide. II. Preparation and Hydrolysis of Acyldicyandiamides
  作者：P. Adams、D. W. Kaiser、D. E. Nagy、G. A. Peters、R. L. Sperry、J. T. Thurston

  DOI：10.1021/jo50008a016

  日期：1952.8
• [EN] QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE QUINOXALINE ET DE QUINOLÉINE EN TANT QU'INHIBITEURS DE KINASE
  申请人：UCB PHARMA SA

  公开号：WO2009081105A3

  公开（公告）日：2009-08-20