34570-17-7

• 常用中文名：丙二酰脒盐酸盐
• 常用英文名：3-Amino-3-iminopropanamide hydrochloride (1:1)
• CAS号：34570-17-7
• 分子式：C₃H₈ClN₃O
• 分子量：137.568
• 相关类别： 化学试剂 有机试剂 亚氨、脒
• 发布时间：2018-09-23 17:58:00
• 更新时间：2024-01-07 10:48:29
• Amidinomalonamide hydrochloride is a chemical reagent used in the preparation of pyrimidooxazines used as DGAT1 inhibitors. This drug has potential use as an anti-obesity treatment.

名称

• 中文名: 丙二酰脒盐酸盐
• 英文名: 3-amino-3-iminopropanamide,hydrochloride
• 中文别名: Alpha-脒基乙酰胺盐酸盐; 乙酰胺脒盐酸盐
• 英文别名: 3-amino-3-imino-propionamide hydrochloride; Amidinomalonamide hydrochloride; 3-Amino-3-iminopropanamide hydrochloride (1:1); MFCD00013007; Amidinomalonamide HCl; Malonsaeureamidamidinhydrochlorid; chlorohydrate d'acetomalonimide; EINECS 252-095-5; carbamoylacetamidine hydrochloride; Propanamide, 3-amino-3-imino-, hydrochloride (1:1); malonamamidine hydrochloride; Amidinoacetamid-hydrochlorid; TOS-BB-1115; 2-amidinoacetamide hydrochloride; 3-amino-3-iminopropanamide hydrochloride

物化性质

• 沸点: 315.4ºC at 760 mmHg
• 熔点: 174-176 °C(lit.)
• 分子式: C₃H₈ClN₃O
• 分子量: 137.568
• 闪点: 144.6ºC
• 精确质量: 137.035583
• PSA: 92.96000
• LogP: 1.10010
• 外观性状: 白色至淡黄色结晶粉末
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应

  避免氧化物
• 计算化学:

  1、 疏水参数计算参考值（XlogP）：

  2、 氢键供体数量：3

  3、 氢键受体数量：4

  4、 可旋转化学键数量：2

  5、 互变异构体数量：2

  6、 拓扑分子极性表面积（TPSA）：93

  7、 重原子数量：8

  8、 表面电荷：-1

  9、 复杂度：98.4

  10、同位素原子数量：0

  11、确定原子立构中心数量：0

  12、不确定原子立构中心数量：0

  13、确定化学键立构中心数量：0

  14、不确定化学键立构中心数量：0

  15、共价键单元数量：2

• 更多:

  1. 性状：白色至淡黄色晶体粉末

  2. 密度（g/mL,20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：172-174

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,KPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（Pa,20ºC）：未确定

  12. 饱和蒸气压（KPa,20ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Name: Malonamamidine hydrochloride 99% Material Safety Data Sheet Synonym: None listed CAS: 34570-17-7 Section 1 - Chemical Product MSDS Name:Malonamamidine hydrochloride 99% Material Safety Data Sheet Synonym:None listed Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 34570-17-7 Malonamamidine hydrochloride 99 252-095-5 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: Causes respiratory tract irritation. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. Section 4 - FIRST AID MEASURES Eyes: Immediately 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 immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. 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. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Wash area with soap and water. Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Storage: Store in a tightly closed container. Store in a cool, dry area away from incompatible substances. 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# 34570-17-7: 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: Powder Color: yellow Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 174.00 - 176.00 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Not available. Specific Gravity/Density: Not available. Molecular Formula: C3H7N3O.HCl Molecular Weight: 137.57 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, excess heat, strong oxidants. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases. Hazardous Decomposition Products: Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 34570-17-7 unlisted. LD50/LC50: Not available. Carcinogenicity: Malonamamidine hydrochloride - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Other No information available. Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. 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. 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# 34570-17-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 34570-17-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 34570-17-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水是稍微有危害的，若无政府许可，勿将材料排入周围环境。

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S37/39
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2925290090

合成路线

2318-25-4 ~% 34570-17-7

文献：Farmaco, , vol. 48, # 3 p. 357 - 374

27317-59-5 ~% 34570-17-7

文献：Journal of Biological Chemistry, , vol. 181, p. 89,91

海关

海关编码	2925290090
中文概述	2925290090 其他亚胺及其衍生物，以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%