2-氰基-3-吗啉丙酰胺

2-氰基-3-吗啉丙酰胺 基本信息
CAS号 25229-97-4 分子式 C8H11N3O2
分子量 181.19200 精确质量  181.08500
PSA  79.35000 LogP  -0.15042

基本信息 展开↓

CAS号:
25229-97-4
3D弹球模型:
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分子式:
C8H11N3O2
分子量:
181.19200
中文名称:
2-氰基-3-吗啉丙酰胺
英文名称:
2-Cyano-3-morpholinoacrylamide
中文别名:
2-氰基-3-吗啉丙酰胺;
2-氰基-3-吗啉丙烯酰胺
英文别名:
2-Cyano-3-morpholinoacrylamide;
2-Cyano-3-(4-morpholinyl)propenamide;
2-Cyano-3-morpholin-4-ylprop-2-enamide;
2-cyano-3-morpholin-4-yl-acrylamide;
3-Morpholino-2-cyanoacrylamide;
3-MORPHOLINE-2-CYANOACYLAMIDE;
3-Morpholino-2-cyanacrylamid;
2-Propenamide,2-cyano-3-(4-morpholinyl)
精确分子量/精确质量:
181.08500
极性分子表面积/PSA:
79.35000
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:
246-741-5
InChI:
The Key: LLKCXVWITGBXLG-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
淡黄色结晶粉末
密度:
1.342g/cm3
熔点:
173-177ºC
沸点:
396.1ºC at 760mmHg
闪点:
193.4ºC
折射率:
1.618
蒸汽压:
1.75E-06mmHg at 25°C
存储条件/存储方法:

放入紧密的贮藏器内,储存在阴凉,干燥的地方

稳定性相关:

避免接触强氧化物,酸,酸酸酐,酸性氯化物

其它信息:

1.       性状:未确定

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):173-177

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):未确定

11.    蒸气压(kpa,20ºC):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↓

危险类别码:
R36/37/38
安全说明:
S26-S37/39
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

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  • 25229-97-4

    2-氰基-3-吗啉丙酰胺

MSDS 展开↓

Name: 2-Cyano-3-morpholinoacrylamide 98% Material Safety Data Sheet
Synonym:
CAS: 25229-97-4
Section 1 - Chemical Product   MSDS Name:2-Cyano-3-morpholinoacrylamide 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
25229-97-4 2-Cyano-3-morpholinoacrylamide 98% 246-741-5
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.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled. May cause burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with 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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 25229-97-4: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 173-175 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H11N3O2
Molecular Weight: 181.0959

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, acid chlorides, carbon dioxide, acid anhydrides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 25229-97-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Cyano-3-morpholinoacrylamide - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 25229-97-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 25229-97-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 25229-97-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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:47.31

2   摩尔体积m3/mol134.9

3   等张比容(90.2K):395.6

4   表面张力dyne/cm73.9

5   极化率10-24cm318.75

计算化学数据


1、   疏水参数计算参考值(XlogP):-0.4

2、   氢键供体数量:1

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):79.4

7、   重原子数:13

8、   表面电荷:0

9、   复杂度:270

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:1

15、           共价键单元数量:1

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