N-(3-氨基丙基)二乙醇胺

N-(3-氨基丙基)二乙醇胺 基本信息
CAS号 4985-85-7 分子式 C7H18N2O2
分子量 162.23000 精确质量 　162.13700
PSA 　69.72000 LogP 　-0.67790
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目录
基本信息 物化性质 安全信息 合成路线 化学图谱 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
4985-85-7
3D弹球模型：
立即前往扯扯看
分子式：
C7H18N2O2
分子量：
162.23000
中文名称：
N-(3-氨基丙基)二乙醇胺
英文名称：
N-(3-Aminopropyl)diethanolamine
中文别名：
N-(3-氨基丙基)二乙醇胺;
N,N-双(2-羟乙基)-1,3-二氨基丙烷;
N-(3-氨丙基)二乙醇胺
英文别名：
N-(3-Aminopropyl)diethanolamine;
2-[3-aminopropyl(2-hydroxyethyl)amino]ethanol;
N,N-Bis(2-hydroxyethyl)-1,3-diaminopropane
精确分子量/精确质量：
162.13700
极性分子表面积/PSA：
69.72000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
EINECS：
225-642-0
InChI：
InChI=1/C7H18N2O2/c8-2-1-3-9(4-6-10)5-7-11/h10-11H,1-8H2/p+2

物化性质展开↓

外观与性状：
无色液体带有一种微弱像鱼一样的气味
密度：
1,07 g/cm3
沸点：
207 °C
闪点：
138°C
存储条件/存储方法：

 避光，通风干燥处，密封保存

稳定性相关：

常温常压下稳定

其它信息：

1.       性状：不确定

2.       密度（g/mL）： 1.07

3.       相对蒸汽密度（g/mL,空气=1）：不确定

4.       熔点（ºC）：不确定

5.       沸点（ºC,常压）：207

6.       沸点（ºC,3mmHg）：不确定

7.       折射率（nD20）：不确定

8.       闪点（ºC）：138

9.       比旋光度（º）：不确定

10.    自燃点或引燃温度（ºC）：不确定

11.    蒸气压（kPa,25ºC）：不确定

12.    饱和蒸气压（kPa,60ºC）：不确定

13.    燃烧热（KJ/mol）：不确定

14.    临界温度（ºC）：不确定

15.    临界压力（KPa）：不确定

16.    油水（辛醇/水）分配系数的对数值：不确定

17.    爆炸上限（%,V/V）：不确定

18.    爆炸下限（%,V/V）：不确定

19.    溶解性：不确定

安全信息展开↓

包装等级：
III
风险类别：
8
海关代码：
2922199090
危险类别码：
R34
安全说明：
S26-S36/37/39
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
:
危险标志：
Xi: Irritant;

合成路线查看所有的合成路线

  • 118811-21-5

    1H-异吲哚-1,3(2H)-二酮, 2-[3-[二(2-羟基乙基)氨基]丙基]-

  • →

    ~79%

  • 4985-85-7

    N-(3-氨基丙基)二乙醇胺

  • 17209-72-2

    N-(2-氰乙基)二乙醇胺

  • →

    ~32%

  • 4985-85-7

    N-(3-氨基丙基)二乙醇胺

  • 5460-29-7

    N-(3-溴丙基)苯二胺

  • +

  • 111-42-2

    二乙醇胺

  • →

  • 4985-85-7

    N-(3-氨基丙基)二乙醇胺

化学图谱

  1. N-(3-氨丙基)二乙醇胺红外图谱(IR1)

  2. N-(3-氨丙基)二乙醇胺核磁图(13CNMR)

  3. N-(3-氨丙基)二乙醇胺质谱(MS)

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毒理性展开↓

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境

MSDS 展开↓

  N-(3-Aminopropyl)diethanolamine      Revision number: 1    
  SAFETY DATA SHEET
Section 1. BASE INFORMATION
  Product name:        N-(3-Aminopropyl)diethanolamine    

  Revision number:        1    
Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
    Category 1C
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 1    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements
  Pictograms or hazard symbols
  Signal word        Danger    
  Hazard statement        Causes severe skin burns and eye damage    
  Precautionary statements
  [Prevention]        Do not breathe.    
    Wash hands thoroughly after handling.
    Wear protective gloves/eye protection/face protection.
  [Response]        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for    
    breathing.
    IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
    if present and easy to do. Continue rinsing.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
    Wash contaminated clothing before reuse.
    Immediately call a POISON CENTER or doctor/physician.
    Store locked up.
  [Storage]
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Component(s):        N-(3-Aminopropyl)diethanolamine    
    >90.0%(GC)
  Percent:
  CAS Number:        4985-85-7    
    N,N-Bis(2-hydroxyethyl)-1,3-diaminopropane
  Synonyms:
  Chemical Formula:        C7H18N2O2    
  N-(3-Aminopropyl)diethanolamine
Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Immediately call a POISON CENTER or doctor/physician.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. Immediately call a POISON CENTER or doctor/physician.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing.Immediately call a POISON CENTER or
    doctor/physician.
  Ingestion:        Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT    
    induce vomiting.
    burning sensation, difficulty in breathing, thirst, asthma, nausea, vomiting, bronchitis ,
  Symptoms/effects:
    diarrhoea, weakness, collapse, headache, redness, pain, burn
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.
Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Extinguishing media not to Solid streams of water
  be used:
  Specific hazards:        Take care as it may decompose upon combustion or in high temperatures to    
    generate poisonous fume.
  Specific methods:        Fire-extinguishing work is done from the windward and the suitable fire-extinguishing    
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:
Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use extra personal protective equipment (self-contained breathing apparatus). Keep    
  protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non-
  emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
  containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
  up: material should be promptly disposed of, in accordance with appropriate laws and
    regulations.
Section 7. HANDLING AND STORAGE
  Handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent generation of vapor or mist. Wash hands and face thoroughly after handling.
    Use a closed system if possible. Use a ventilation, local exhaust if vapor or aerosol
    will be generated.
  Advice on safe handling:        Avoid contact with skin, eyes and clothing.    
  Storage
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store under inert gas.
    Protect from moisture.
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
    Law is followed.
  Packaging material:
Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust. Also install safety shower and eye bath.    
  N-(3-Aminopropyl)diethanolamine
Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Personal protective equipment
  Respiratory protection: Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied
    air respirator, etc. Use respirators approved under appropriate government standards
    and follow local and national regulations.
  Hand protection:        Impervious gloves.    
    Safety goggles. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
    clear
  Form:
  Color:        Colorless - Slightly pale yellow    
    Ammoniacal
  Odor:
  pH: 12
  Melting point/freezing point:No data available
  Boiling Point/Range:        207 °C    
  Flash Point:        138°C    
  Explosive limits
    No data available
  Lower:
  Upper:        No data available    
    5.6
  Vapor Density:
  Density:        1.07    
    Soluble in : Water
  Solubility:
Section 10. STABILITY AND REACTIVITY
  Stability:        Stable under proper conditions.    
  Reactivity:        No special reactivity has been reported.    
  Conditions to avoid:        Hygroscopic    
  Incompartible materials: oxidizing agents, acids
  Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
  Products:
Section 11. TOXICOLOGICAL INFORMATION
    No data available
  Acute Toxicity:
  Skin corrosion/irritation: No data available
    No data available
  Serious eye
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
    No data available
  IARC =
  NTP =        No data available    
    No data available
  Reproductive toxicity:
Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobillity in soil
  log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  constant(PaM3/mol):
  N-(3-Aminopropyl)diethanolamine
Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
    incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
    disposing of the substance.
Section 14. TRANSPORT INFORMATION
  Hazards Class:        8: Corrosive.    
  UN-No:        2735    
    Polyamines, liquid, corrosive, n.o.s.
  Proper shipping name:
  Packing group:        III    
Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26,
  2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
    prescribed.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2922199090

概述：
2922199090. 其他氨基醇及其醚，酯和它们的盐（但含一种以上含氧基的除外）. 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:30.0%
申报要素：
品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
摘要/Summary：
2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据

1、   摩尔折射率：44.80

2、   摩尔体积（m3/mol）：150.0

3、   等张比容（90.2K）：398.8

4、   表面张力（dyne/cm）：49.9

5、   极化率（10-24cm3）：17.76

计算化学数据

1.疏水参数计算参考值（XlogP）:-1.7

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:7

5.互变异构体数量:无

6.拓扑分子极性表面积69.7

7.重原子数量:11

8.表面电荷:0

9.复杂度:74.8

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

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