N,N-二乙基乙醇胺盐酸盐

N,N-二乙基乙醇胺盐酸盐 基本信息
CAS号 14426-20-1 分子式 C6H16ClNO
分子量 153.65000 精确质量  153.09200
PSA  23.47000 LogP  1.12250

基本信息 展开↓

CAS号:
14426-20-1
3D弹球模型:
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分子式:
C6H16ClNO
分子量:
153.65000
中文名称:
N,N-二乙基乙醇胺盐酸盐
英文名称:
2-(Diethylamino)ethanol hydrochloride
中文别名:
N,N-二乙基乙醇胺盐酸盐;
2-二乙基氨基乙醇盐酸盐;
二乙氨基乙醇盐酸盐
英文别名:
2-(Diethylamino)ethanol hydrochloride;
2-DIETHYLAMINOETHANOL HYDROCHLORIDE
精确分子量/精确质量:
153.09200
极性分子表面积/PSA:
23.47000
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。
贝尔斯坦号/MDL:
MFCD00036374
EINECS:
238-395-9
InChI:
The Key: DBQUKJMNGUJRFI-UHFFFAOYSA-N

物化性质展开↓

密度:
1.52g/cm3
熔点:
133°C
沸点:
478.8ºC at 760mmHg
闪点:
243.4ºC
存储条件/存储方法:

常温密闭避光,通风干燥

稳定性相关:

常温常压下稳定

避免的物料:氧化物

其它信息:

1.       性状:块状

2.       密度(g/mL,25/4):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(ºC,5.2kPa):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):不适用的

11.    蒸气压(kPa,25ºC):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:未确定

安全信息展开↓

海关代码:
2921199090
危险类别码:
36/37/38
安全说明:
S26-S37/39
RTECS号:
KK5553400

合成路线查看所有的合成路线

  • 78853-39-1

    Cyclodrinhydrochlorid

  • 103-82-2

    苯乙酸

  • +

  • 25209-52-3

    (1-hydroxycyclopentyl)phenylacetic acid

  • 100-37-8

    二乙氨基乙醇

  • 14426-20-1

    N,N-二乙基乙醇胺盐酸盐

化学图谱

  1. 2-二乙氨基乙醇盐酸盐红外图谱(IR1)

  2. 2-二乙氨基乙醇盐酸盐红外图谱(IR2)

  3. 2-二乙氨基乙醇盐酸盐红外图谱(IR3)

  4. 2-二乙氨基乙醇盐酸盐质谱(MS)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KK5553400
CHEMICAL NAME :
Ethanol, 2-diethylamino-, hydrochloride
CAS REGISTRY NUMBER :
14426-20-1
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C6-H15-N-O.Cl-H
MOLECULAR WEIGHT :
153.68
WISWESSER LINE NOTATION :
Q2N2&2 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1162 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
APBDAJ Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft. (Weinheim, Fed. Rep. Ger.) V.262-304, 1924-71. For publisher information, see ARPMAS. Volume(issue)/page/year: 290,131,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1260 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 112,36,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
458 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
APBDAJ Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft. (Weinheim, Fed. Rep. Ger.) V.262-304, 1924-71. For publisher information, see ARPMAS. Volume(issue)/page/year: 290,131,1957
毒理学数据:

1、急性毒性:主要的刺激性影响:

在皮肤上面:刺激皮肤和粘膜;

在眼睛上面:刺激的影响;没有已知的敏化影响。

生态数据:

通常对水体是稍微有害的,不要将未稀释或大量产品接触地下水,水道或污水系统,未经政府许可勿将材料排入周围环境。

MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name 2-Diethylaminoethanol Hydrochloride
    Portland OR
    Synonym        N,N-Diethylethanolamine Hydrochloride    
    Chemical Formula        (C2H5)2NCH2CH2OH•HCl    
    CAS Number        14426-20-1    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    2-Diethylaminoethanol Hydrochloride        14426-20-1 Min. 98.0 (T) Not available.        Mouse LD50 (subcutaneous)    
    1260mg/kg
    Mouse LD50 (intravenous)
    458mg/kg
    Mouse LD50 (intraperitoneal)
    1162mg/kg

Section III. Hazards Identification
    No specific information is available in our data base regarding the toxic effects of this material for humans. However,
    Acute Health Effects
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    CARCINOGENIC EFFECTS : Not available.
    Chronic Health Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is
    not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. IMMEDIATELY flush eyes with running water for at least 15 minutes, keeping    
    eyelids open. COLD water may be used. DO NOT use an eye ointment. Flush eyes with running water for a minimum of
    15 minutes, occasionally lifting the upper and lower eyelids. Seek medical attention. Treat symptomatically and
    supportively.
    Skin Contact        After contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin with    
    running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. COLD water
    may be used. Cover the irritated skin with an emollient. Seek medical attention. Treat symptomatically and supportively.
    Wash any contaminated clothing before reusing.
    Inhalation        If the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If    
    breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    Loosen tight clothing such as a collar, tie, belt, or waistband. If the victim is not breathing, administer artificial respiration.
    Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material
    was ingested; the absence of such signs, however, is not conclusive. Seek immediate medical attention and, if possible,
    show the chemical label. Treat symptomatically and supportively.

Section V. Fire and Explosion Data
    Not available.
    Flammability        Combustible.        Auto-Ignition    
    Flash Points        Flammable Limits    
    Not available.        Not available.    
    Combustion Products
    These products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NO, NO2), halogenated compounds.
    WARNING: Highly toxic HCl gas is produced during combustion.
    Fire Hazards
    No specific information is available regarding the flammability of this compound in the presence of various materials.
    Continued on Next Page
    2-Diethylaminoethanol Hydrochloride
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    No additional information is available regarding the risks of explosion.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
    and Instructions        LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.    

Section VI.        Accidental Release Measures    
    Spill Cleanup
    In case of a spill and/or a leak, always shut off any sources of ignition, ventilate the area, and exercise caution. Use a
    shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
    Instructions
    contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    disposal.

Section VII. Handling and Storage
    Handling and Storage        Keep away from heat and sources of ignition. Mechanical exhaust required. When not in use, tightly seal the container    
    and store in a dry, cool place. Avoid excessive heat and light. DO NOT breathe dust. In case of insufficient ventilation,
    Information
    wear suitable respiratory equipment. If you feel unwell, seek medical attention and show the label when possible. Treat
    symptomatically and supportively. Avoid contact with skin and eyes.
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below    
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Splash goggles. Lab coat. Dust respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid    
    inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling
    this product.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Solubility
    Physical state @ 20°C        Powder.        Soluble in cold water, hot water.    
    Not available.
    Specific Gravity
    Molecular Weight        153.65        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Vapor Pressure        Not available.    
    Melting Point        133°C (271.4°F)        Vapor Density        Not available.    
    Not available.        Volatility        Not available.    
    Refractive Index
    Critical Temperature        Odor        Not available.    
    Not available.
    Not available.        Not available.    
    Viscosity        Taste    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability
    Avoid excessive heat and light.
    Incompatibilities
    Reactive with oxidizing agents.

Section XI. Toxicological Information
    RTECS Number        KK5553400    
    Routes of Exposure        Eye contact. Inhalation. Ingestion.    
    Mouse LD50 (subcutaneous) 1260mg/kg
    Toxicity Data
    Mouse LD50 (intravenous) 458mg/kg
    Mouse LD50 (intraperitoneal) 1162mg/kg
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
    known to aggravate existing medical conditions.
    Acute Toxic Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    Continued on Next Page
    2-Diethylaminoethanol Hydrochloride

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Environmental Fate        Not available.    

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with
    Waste Disposal
    a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state, and local regulations when disposing of this substance.

Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    PIN Number        Not applicable.    
    Proper Shipping Name
    Not applicable.
    Packing Group (PG)        Not applicable.    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.    
    (EPA)
    WHMIS Classification
    Not available.
    (Canada)
    EINECS Number (EEC) Not available.
    EEC Risk Statements        Not available.    


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2921199090

概述:
2921199090 其他无环单胺及其衍生物及其盐。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
摘要/Summary:
2921199090 other acyclic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none 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:无可用的

2、摩尔体积(cm3/mol):无可用的

3、等张比容(90.2K):无可用的

4、表面张力(dyne/cm):无可用的

5、介电常数:无可用的

6、极化率(10-24cm3):无可用的

7、单一同位素质量:153.092042 Da

8、标称质量:153 Da

9、平均质量:153.6503 Da

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:2

3.氢键受体数量:2

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积23.5

7.重原子数量:9

8.表面电荷:0

9.复杂度:43.8

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:2

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