112193-83-6

• 常用中文名：1-苄基-1,4,7,10-四氮杂环十二烷
• 常用英文名：1-Benzyl-1,4,7,10-tetraazacyclododecane
• CAS号：112193-83-6
• 分子式：C₁₅H₂₆N₄
• 分子量：262.39400
• 发布时间：2018-10-23 16:57:59
• 更新时间：2025-08-25 16:21:05

名称

• 中文名: 1-苄基-1,4,7,10-四氮杂环十二烷
• 英文名: 1-benzyl-1,4,7,10-tetrazacyclododecane
• 中文别名: 1-苄基-1,4,7,10-四氮环十二烷
• 英文别名: monobenzylcyclene; 1,4,7,10-Tetraazacyclododecane,1-(phenylmethyl); N-benzyl-cyclen; N-Benzyl-1,4,7,10-tetraazacyclododecane; 1-BENZYL-1,4,7,10-TETRAAZACYCLODODECANE; mono-N-benzylcyclen; benzylcyclene; MFCD09263310; 1-benzyl-1,4,7-tetraazacyclododecane

物化性质

• 密度: 0.971g/cm3
• 沸点: 412.225ºC at 760 mmHg
• 熔点: 84-86ºC
• 分子式: C₁₅H₂₆N₄
• 分子量: 262.39400
• 闪点: 218.947ºC
• 精确质量: 262.21600
• PSA: 39.33000
• LogP: 1.19530
• 外观性状: 白色粉末
• 蒸汽压: 0mmHg at 25°C
• 折射率: 1.501
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。远离氧化剂，水源，湿空气。

• 稳定性:

  常温常压下稳定，避免与水源，氧化剂接触。

• 分子结构:

  1、摩尔折射率：79.67

  2、摩尔体积（cm³/mol）：270.3

  3、等张比容（90.2K）：645.8

  4、表面张力（dyne/cm）：32.5

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：31.58

  7、单一同位素质量：262.215747 Da

  8、标称质量：262 Da

  9、平均质量：262.3937 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  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:无

  6.拓扑分子极性表面积39.3

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:204

  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/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：84-86

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，0.3mmHg）：未确定

  7. 折射率(n20/D)：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（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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：溶于水

MSDS

Section 1: Product Identification Chemical Name:N-Benzyl-1,4,7,10-tetraazacyclododecane, min. 98% CAS Registry Number:112193-83-6 Formula:C15H26N4 EINECS Number:none Chemical Family:organic amine Synonym:none Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title compound112193-83-6100%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:262.39 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: 对水稍微危害，避免未稀释或大量的产品接触地下水、水道或污水系统。 若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xi
• 海关编码: 2933990090

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%