胍 乙酸盐 | 593-87-3

• 物质功能分类: 化学试剂 - 有机试剂 - 胍盐
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 胍 乙酸盐
• 中文别名: 乙酸胍；胍乙酸盐
• 英文名称: guanidine acetic acid
• 英文别名: guanidine acetate；guanidinium acetate；Guanidinacetat；Salt acetic acid guanidinium；diaminomethylideneazanium;acetate
• CAS: 593-87-3
• 化学式: CH₆N₃*C₂H₃O₂
• 分子量: 119.123
• InChiKey: DXTIKTAIYCJTII-UHFFFAOYSA-N

物化性质

• 熔点：
  226-230 °C
• 溶解度：
  H2O：0.1 g/mL，澄清
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与不相容的材料接触。

计算性质

• 辛醇/水分配系数(LogP)：
  -1.07
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  113
• 氢给体数：
  4
• 氢受体数：
  3

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
• WGK Germany：
  3
• 储存条件：
  密封储存，应存放在阴凉干燥的库房中。

SDS

Name:	Guanidine acetate Material Safety Data Sheet
Synonym:	Guanidine monoacetat
CAS:	593-87-3

Section 1 - Chemical Product MSDS Name:Guanidine acetate Material Safety Data Sheet
Synonym:Guanidine monoacetat

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
593-87-3	Guanidine, monoacetate	100.0	209-814-2

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. Wash clothing before reuse.
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 immediately.
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:
Antidote: None reported.

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 593-87-3: 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: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 226.00 - 227.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water: 1g /10 ml in water
Specific Gravity/Density:
Molecular Formula: CH5N3.C2H4O2
Molecular Weight: 119.12

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 593-87-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Guanidine, monoacetate - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 593-87-3: No information available.
Canada
CAS# 593-87-3 is listed on Canada's NDSL List.
CAS# 593-87-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 593-87-3 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：

  胍 乙酸盐 、 thorium(IV) tetra-acetate 以 水 为溶剂， 生成
  参考文献：
  名称：

  Canneri, G., Gazzetta Chimica Italiana, 1925, vol. 55, p. 39 - 44

  摘要：

  DOI：
• 作为产物：
  描述：

  3-oxo-N-(3-chlorophenyl)butanethioamide 、 碳酸胍 反应 3.0h， 以30%的产率得到N⁴-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
  参考文献：
  名称：

  Reaction of N-aryl-3-oxobutanethioamides with bis(guanidinium) carbonate

  摘要：

  Reactions of N-aryl-3-oxobutanethioamides with bis(guanidinium) carbonate lead to the formation of N-aryl-3-guanidinobut-2-enethioamides, 4-arylamino-6-methylpyrimidin-2-amines, guanidinium acetate, and arylamines, depending on the temperature conditions.

  DOI：

  10.1134/s1070428007060188
• 作为试剂：
  描述：

  3-dehydro-2-deoxy-20-hydroxyecdysone 20,22-acetonide 在 sodium tetrahydroborate 、 胍 乙酸盐 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 458.0h， 生成 2-D-5α-20-ECD
  参考文献：
  名称：

  3- Epi -2-deoxy-20-hydroxyecdysone及其类似物的合成和蜕皮激素活性

  摘要：

  次要的蜕皮甾体3-表位-2-脱氧-20-羟基蜕皮激素（3-表位-2-D-20-ECD）已由20-羟基蜕皮酮部分合成。还合成了2-D-5α-20-ECD和3-脱氢类似物3-脱氢-2-D-20-ECD和3-脱氢-2-D-5α-20-ECD。这些化合物的蜕皮激素活性已经使用Musca生物测定法进行了研究。

  DOI：

  10.1016/s0040-4020(97)00025-2

文献信息

• Pyrimidine, quinazoline, pteridine and triazine derivatives
  申请人：Binggeli Alfred

  公开号：US20070225271A1

  公开（公告）日：2007-09-27

  This invention is concerned with compounds of the formula wherein A, R 1 to R 5 and G are as defined in the description and claims, and pharmaceutically acceptable salts thereof. The invention further relates to pharmaceutical compositions containing such compounds, to a process for their preparation and to their use for the treatment and/or prevention of diseases which are associated with the modulation of SST receptors subtype 5.

  这项发明涉及以下式的化合物 其中A，R1至R5和G如描述和声明中所定义，并其药学上可接受的盐。该发明还涉及含有这种化合物的药物组合物，以及用于制备它们的方法和它们用于治疗和/或预防与调节SST受体亚型5相关的疾病的用途。
• Anodic synthesis of Np(VII) compounds from acetate solutions
  作者：A. M. Fedoseev、N. A. Budantseva、A. A. Bessonov、V. P. Shilov

  DOI：10.1134/s106636221202004x

  日期：2012.4

  A procedure was suggested for the synthesis of Np(VII) compounds by electrochemical oxidation in acetate solutions. The conditions for preparing compounds of type MNpO4·nH2O, where M is a single-charged cation of alkali metals, ammonium, silver, guanidinium, or tetraalkylammonium, and of Np(VII) compounds with double-charged cations of alkaline-earth metals, Cu, Cd, and Zn were studied in detail. The

  建议了一种在乙酸盐溶液中通过电化学氧化合成Np（VII）化合物的方法。制备MNpO 4 · n H 2 O型化合物的条件，其中M是碱金属，铵，银，胍盐或四烷基铵的单电荷阳离子，以及Np（VII）化合物与碱性双电荷阳离子的单电荷阳离子详细研究了稀土金属Cu，Cd和Zn。通过化学分析，红外光谱和电子光谱对化合物进行表征。
• Synthesis of new pyrimido[4,5-d]pyrimidine derivatives from 5-acetyl-6-methyl-4-methylsulfanylpyrimidine-2(1H)-thiones and guanidine
  作者：A. V. Komkov、S. V. Baranin、V. A. Dorokhov

  DOI：10.1007/s11172-014-0454-5

  日期：2014.2

  Reactions of 5-acetyl-1-aryl(alkyl)-6-methyl-4-methylsulfanylpyrimidine-2(1H)-thiones (prepared from diacetylketene N,S-acetal) with guanidine afforded 3-alkyl- and 3-aryl-7-amino-5-methyl-4-methylidene-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-thiones. By-products of these reactions (5-acetyl-1-alkyl(aryl)-6-methyl-2-thiouracils) can also be obtained from the starting pyrimidinethiones and EtONa in EtOH. Pyrimidopyrimidinethiones can react with MeOH at the methylidene group in the presence of MeONa.

  由二乙酰基乙烯酮N,S-乙缩醛制备的5-乙酰基-1-芳基（烷基）-6-甲基-4-甲硫基嘧啶-2(1H)-硫酮与胍反应，生成3-烷基和3-芳基-7-氨基-5-甲基-4-亚甲基-3,4-二氢嘧啶并[4,5-d]嘧啶-2(1H)-硫酮。这些反应的副产物（5-乙酰基-1-烷基（芳基）-6-甲基-2-硫尿嘧啶）也可从起始嘧啶硫酮和EtONa在乙醇中得到。嘧啶并嘧啶硫酮在MeONa存在下可与甲醇在亚甲基部位发生反应。
• Efficient Synthesis of 4- and 5-Substituted 2-Aminopyrimidines by Coupling of β-Chlorovinyl Aldehydes and Guanidines
  作者：Anna S. Komendantova、Alexander V. Komkov、Yulia A. Volkova、Igor V. Zavarzin

  DOI：10.1002/ejoc.201700737

  日期：2017.8.10

  A general, practical and simple synthesis of functionalized 2-aminopyrimidines starting from β-chlorovinyl aldehydes and amidines is reported. In the presence of potassium carbonate, various ketones have been efficiently incorporated into the pyrimidine derivatives by two-step sequence involving the Vilsmeier-Haack reaction followed by the condensation with guanidines. The protocol is distinguished

  据报道，从β-氯乙烯基醛和am开始的官能化的2-氨基嘧啶的一般，实用和简单的合成。在碳酸钾的存在下，通过涉及维斯迈尔-哈克（Vilsmeier-Haack）反应，然后与胍缩合的两步顺序，各种酮已被有效地掺入嘧啶衍生物中。该协议的特点是操作简便，试剂价格低廉和官能团耐受性强。在许多情况下，无需使用柱色谱法即可以高至极好的收率获得纯净的固体产品。该方法的合成价值通过甾族嘧啶和抗肿瘤药Imatinib和Mocetinostat的前体的有效合成得到证明。
• Synthesis and studies of new 6-[halo(diphenyl)methyl]- and 6-(thiophen-2-ylmethyl)pyrimidin-4(3H)-ones as possible HIV-1 reverse transcriptase inhibitors
  作者：V. T. Valuev-Elliston、A. V. Ivanov、B. S. Orlinson、E. N. Gerasimov、L. L. Brunilina、E. K. Zakharova、S. N. Kochetkov、I. A. Novakov、M. B. Navrotskii

  DOI：10.1007/s11172-013-0108-z

  日期：2013.3

  Six new 6-[halo(diphenyl)methyl]- and 6-(thiophen-2-ylmethyl)pyrimidin-4(3H)-one derivatives were synthesized and studied for biological activity. The studies showed that the 6-(thiophen-2-ylmethyl)pyrimidin-4(3H)-one derivatives inhibited activity of the HIV-1 recombinant reverse transcriptase in the micromolar range of concentrations. The 6-[halo-(diphenyl)methyl]pyrimidin-4(3H)-one derivative showed no activity in the concentrations up to 200 μmol mL−1.

  合成并研究了六种新的6-[卤（二苯基）甲基]-和6-(噻吩-2-基甲基)嘧啶-4(3H)-酮衍生物的生物活性。研究表明，6-(噻吩-2-基甲基)嘧啶-4(3H)-酮衍生物在微摩尔浓度范围内抑制HIV-1重组逆转录酶的活性。6-[卤-(二苯基)甲基]嘧啶-4(3H)-酮衍生物在高达200 μmol mL−1的浓度下未表现出活性。