345612-63-7

• 常用中文名：1,4,8,11-四(氨甲酰基甲基)-1,4,8,11-四氮杂环十四烷
• 常用英文名：1,4,8,11-Tetrakis(aminocarbonylmethyl)-1,4,8,11-tetraazacyclotetradecane
• CAS号：345612-63-7
• 分子式：C₁₈H₃₆N₈O₄
• 分子量：428.53000
• 发布时间：2018-12-26 17:06:54
• 更新时间：2024-01-11 12:43:41

名称

• 中文名: 1,4,8,11-四(氨甲酰基甲基)-1,4,8,11-四氮杂环十四烷
• 英文名: 2-[4,8,11-tris(2-amino-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide
• 中文别名: 1,4,8,11-四(氨基羰基甲基)-1,4,8,11-四氮杂环十四烷
• 英文别名: 1,4,8,11-TETRAKIS(AMINOCARBONYLMETHYL)-1,4,8,11-TETRAAZACYCLOTETRADECANE; MFCD09263308; 1,4,8,11-tetrakis(carbamoylmethyl)-1,4,8,11-tetraazacyclotetradecane; 2-(4,8,11-triscarbamoylmethyl-1,4,8,11-tetraazacyclotetradec-1-yl)acetamide

物化性质

• 密度: 1.17g/cm3
• 沸点: 762ºC at 760 mmHg
• 分子式: C₁₈H₃₆N₈O₄
• 分子量: 428.53000
• 闪点: 414.6ºC
• 精确质量: 428.28600
• PSA: 185.32000
• 折射率: 1.523
• 储存条件:

  保存方法：密闭，阴凉，通风干燥处

• 稳定性:

  避氧化物、水分

• 计算化学:

  1.疏水参数计算参考值（XlogP）:-3.4

  2.氢键供体数量:4

  3.氢键受体数量:8

  4.可旋转化学键数量:8

  5.互变异构体数量:27

  6.拓扑分子极性表面积185

  7.重原子数量:30

  8.表面电荷:0

  9.复杂度:491

  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:1

• 更多:

  1. 性状：白色粉末

  2. 密度（g/mL20 ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC4mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（º C）：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（kPa,）：未确定

  12. 饱和蒸气压（kPa,60ºC）：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：可溶解于水的

MSDS

Section 1: Product Identification Chemical Name:1,4,8,11-Tetraazacyclotetradecane-N,N',N",N'''-tetraacetamide, min. 98% CAS Registry Number:345612-63-7 Formula:C18H36N8O4 EINECS Number:none Chemical Family:organic amine Synonym:2-(4,8,11-Tris-carbamoylmethyl-1,4,8,11tetraaza-cyclotetradec-1-yl)-acetamide Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title compound345612-63-7100%no datano data Section 3: Hazards Identification Emergency Overview:Irritating to skin, eyes and respiratory tract Primary Routes of Exposure:Inhalation, skin, eyes Eye Contact:Causes slight to mild irritation of the eyes. Skin Contact:Causes irritation to the skin Inhalation:Causes irritation to the nose, mucous membranes and respiratory tract Ingestion:No information on the physiological effects of ingestion. May be harmful if swallowed. Acute Health Affects:Irritating to skin, eyes and respiratory tract Chronic Health Affects:No information available on long-term chronic effects NTP:No IARC:No OSHA:No SECTION 4: First Aid Measures Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need Eye Exposure: assistance in keeping their eye lids open. Get immediate medical attention. Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if Skin Exposure: irritation persists. Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty Inhalation: in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance. Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce Ingestion: vomiting only if directed by medical personnel. SECTION 5: Fire Fighting Measures Flash Point:no data Autoignition Temperature:no data Explosion Limits:none Extinguishing Medium:carbon dioxide, dry chemical or foam If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure Special Fire Fighting Procedures: self-contained breathing apparatus and full protective clothing. Hazardous Combustion andIf involved in a fire, this material may emit irritating organic fumes Decomposion Products: Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards SECTION 6: Accidental Release Measures Small spills can be mixed with vermiculite, sodium carbonate or other suitable non-combustible adsorbent and Spill and Leak Procedures: swept up. SECTION 7: Handling and Storage Handling and Storage:Store in a tightly sealed container. Keep in a cool, dry place. SECTION 8: Exposure Controls and Personal Protection Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory. Skin Protection:Wear protective clothing and gloves. Ventilation:Handle the material in an efficient fume hood. If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator Respirator: Protection Program to be in compliance with 29 CFR 1910.134. Ventilation:Handle the material in an efficient fume hood. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:white to yellow powder Molecular Weight:428.53 Melting Point:no data Boiling Point:no data Vapor Pressure:no data Specific Gravity:no data Odor:not determined Solubility in Water:insoluble SECTION 10: Stability and Reactivity Stability:air and moisture stable Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:none Incompatibility:oxidizing agents Decomposition Products:carbon dioxide, carbon monoxide, nitrogen oxides and organic fumes SECTION 11: Toxicological Information RTECS Data:No information available in the RTECS files Carcinogenic Effects:No data Mutagenic Effects:No data Tetratogenic Effects:No data SECTION 12: Ecological Information Ecological Information:No information available SECTION 13: Disposal Considerations Disposal:Dispose of according to local, state and federal regulations SECTION 14: Transportation Shipping Name (CFR):Non-hazardous Hazard Class (CFR):NA Additional Hazard Class (CFR):NA Packaging Group (CFR):NA UN ID Number (CFR):NA Shipping Name (IATA):Non-hazardous Hazard Class (IATA):NA Additional Hazard Class (IATA):NA Packaging Group (IATA):NA UN ID Number (IATA):NA SECTION 15: Regulatory Information TSCA:Not listed in the TSCA inventory SARA (Title 313):Title compound not listed Second Ingredient:none SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 1、其它有害作用：通常对水是稍微危害的，若无政府许可，勿将材料排入周围环境。

安全

• 海关编码: 2933990090

合成路线

295-37-4 683-57-8 ~73% 345612-63-7

文献：Olatunde, Abiola O.; Dorazio, Sarina J.; Spernyak, Joseph A.; Morrow, Janet R. Journal of the American Chemical Society, 2012 , vol. 134, # 45 p. 18503 - 18505

上下游产品

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海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%